MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
(1/3,2/3,0) + set click here to show and hide
3	x+1/3,y+2/3,z,+1	{ 1 \| 1/3 2/3 0 }
4	-x+1/3,-y+2/3,z+1/2,-1	{ 2'₀₀₁ \| 1/3 2/3 1/2 }
(2/3,1/3,0) + set click here to show and hide
5	x+2/3,y+1/3,z,+1	{ 1 \| 2/3 1/3 0 }
6	-x+2/3,-y+1/3,z+1/2,-1	{ 2'₀₀₁ \| 2/3 1/3 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,-1	2'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn	0.11111	0.22222	0.00460	6	m_x,m_y,m_z	0.0	0.0	5.	5.00
Mn1_2	Mn	0.22222	0.11111	0.50460	6	m_x,m_y,m_z	0.0	0.0	-5.	5.00
Mn1_3	Mn	0.22222	0.11111	0.99540	6	m_x,m_y,m_z	0.0	0.0	-5.	5.00
Mn1_4	Mn	0.11111	0.22222	0.49540	6	m_x,m_y,m_z	0.0	0.0	5.	5.00
Mn1_5	Mn	0.11111	0.88889	0.00460	6	m_x,m_y,m_z	0.0	0.0	5.	5.00
Mn1_6	Mn	0.22222	0.77778	0.99540	6	m_x,m_y,m_z	0.0	0.0	-5.	5.00
Mn2_1	Mn	0.00000	0.00000	0.25000	6	m_x,m_y,m_z	0.0	0.0	-3.7	3.70
Mn2_2	Mn	0.00000	0.33333	0.25000	6	m_x,m_y,m_z	1.85	-1.85	1.85	3.70
Mn2_3	Mn	0.00000	0.33333	0.75000	6	m_x,m_y,m_z	-1.85	1.85	-1.85	3.70

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
K1_1	K	0.11111	0.22222	0.65780	6
K1_2	K	0.22222	0.11111	0.15780	6
K1_3	K	0.22222	0.11111	0.34220	6
K1_4	K	0.11111	0.22222	0.84220	6
K1_5	K	0.11111	0.88889	0.65780	6
K1_6	K	0.22222	0.77778	0.34220	6
V1_1	V	0.00000	0.00000	0.08000	6
V1_2	V	0.00000	0.00000	0.92000	6
V1_3	V	0.00000	0.33333	0.08000	6
V1_4	V	0.00000	0.33333	0.58000	6
V1_5	V	0.00000	0.33333	0.92000	6
V1_6	V	0.00000	0.33333	0.42000	6
C1_1	C	0.11111	0.22222	0.25000	6
C1_2	C	0.22222	0.11111	0.75000	6
C1_3	C	0.11111	0.88889	0.25000	6
O1_1	O	0.10700	0.10327	0.05500	6
O1_2	O	0.89673	0.00373	0.05500	6
O1_3	O	0.99627	0.89300	0.05500	6
O1_4	O	0.89300	0.89673	0.94500	6
O1_5	O	0.10327	0.99627	0.94500	6
O1_6	O	0.00373	0.10700	0.94500	6
O1_7	O	0.10700	0.43660	0.05500	6
O1_8	O	0.89673	0.33707	0.05500	6
O1_9	O	0.99627	0.22633	0.05500	6
O1_10	O	0.89300	0.23007	0.55500	6
O1_11	O	0.10327	0.32960	0.55500	6
O1_12	O	0.00373	0.44033	0.55500	6
O1_13	O	0.89300	0.23007	0.94500	6
O1_14	O	0.10327	0.32960	0.94500	6
O1_15	O	0.00373	0.44033	0.94500	6
O1_16	O	0.10700	0.43660	0.44500	6
O1_17	O	0.89673	0.33707	0.44500	6
O1_18	O	0.99627	0.22633	0.44500	6
O2_1	O	0.00000	0.00000	0.15520	6
O2_2	O	0.00000	0.00000	0.84480	6
O2_3	O	0.00000	0.33333	0.15520	6
O2_4	O	0.00000	0.33333	0.65520	6
O2_5	O	0.00000	0.33333	0.84480	6
O2_6	O	0.00000	0.33333	0.34480	6
O3_1	O	0.02273	0.20850	0.25000	6
O3_2	O	0.79150	0.81423	0.25000	6
O3_3	O	0.18577	0.97727	0.25000	6
O3_4	O	0.02273	0.54183	0.25000	6
O3_5	O	0.79150	0.14757	0.25000	6
O3_6	O	0.18577	0.31060	0.25000	6
O3_7	O	0.97727	0.12483	0.75000	6
O3_8	O	0.20850	0.51910	0.75000	6
O3_9	O	0.81423	0.35607	0.75000	6

[Show all atoms in unit cell and their moment relations]

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Magnetic atoms:

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.11111	0.22222	0.00460	m_x,m_y,m_z	0.00000	0.00000	5.00000
2	0.88889	0.77778	0.50460	m_x,m_y,-m_z	0.00000	0.00000	-5.00000
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3	0.44444	0.88889	0.00460	m_x,m_y,m_z	0.00000	0.00000	5.00000
4	0.22222	0.44445	0.50460	m_x,m_y,-m_z	0.00000	0.00000	-5.00000
(2/3,1/3,0) + set click here to show and hide
5	0.77778	0.55555	0.00460	m_x,m_y,m_z	0.00000	0.00000	5.00000
6	0.55556	0.11111	0.50460	m_x,m_y,-m_z	0.00000	0.00000	-5.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.22222	0.11111	0.50460	m_x,m_y,m_z	0.00000	0.00000	-5.00000
2	0.77778	0.88889	0.00460	m_x,m_y,-m_z	0.00000	0.00000	5.00000
(1/3,2/3,0) + set click here to show and hide
3	0.55555	0.77778	0.50460	m_x,m_y,m_z	0.00000	0.00000	-5.00000
4	0.11111	0.55556	0.00460	m_x,m_y,-m_z	0.00000	0.00000	5.00000
(2/3,1/3,0) + set click here to show and hide
5	0.88889	0.44444	0.50460	m_x,m_y,m_z	0.00000	0.00000	-5.00000
6	0.44445	0.22222	0.00460	m_x,m_y,-m_z	0.00000	0.00000	5.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.22222	0.11111	0.99540	m_x,m_y,m_z	0.00000	0.00000	-5.00000
2	0.77778	0.88889	0.49540	m_x,m_y,-m_z	0.00000	0.00000	5.00000
(1/3,2/3,0) + set click here to show and hide
3	0.55555	0.77778	0.99540	m_x,m_y,m_z	0.00000	0.00000	-5.00000
4	0.11111	0.55556	0.49540	m_x,m_y,-m_z	0.00000	0.00000	5.00000
(2/3,1/3,0) + set click here to show and hide
5	0.88889	0.44444	0.99540	m_x,m_y,m_z	0.00000	0.00000	-5.00000
6	0.44445	0.22222	0.49540	m_x,m_y,-m_z	0.00000	0.00000	5.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.11111	0.22222	0.49540	m_x,m_y,m_z	0.00000	0.00000	5.00000
2	0.88889	0.77778	0.99540	m_x,m_y,-m_z	0.00000	0.00000	-5.00000
(1/3,2/3,0) + set click here to show and hide
3	0.44444	0.88889	0.49540	m_x,m_y,m_z	0.00000	0.00000	5.00000
4	0.22222	0.44445	0.99540	m_x,m_y,-m_z	0.00000	0.00000	-5.00000
(2/3,1/3,0) + set click here to show and hide
5	0.77778	0.55555	0.49540	m_x,m_y,m_z	0.00000	0.00000	5.00000
6	0.55556	0.11111	0.99540	m_x,m_y,-m_z	0.00000	0.00000	-5.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_5:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.11111	0.88889	0.00460	m_x,m_y,m_z	0.00000	0.00000	5.00000
2	0.88889	0.11111	0.50460	m_x,m_y,-m_z	0.00000	0.00000	-5.00000
(1/3,2/3,0) + set click here to show and hide
3	0.44444	0.55556	0.00460	m_x,m_y,m_z	0.00000	0.00000	5.00000
4	0.22222	0.77778	0.50460	m_x,m_y,-m_z	0.00000	0.00000	-5.00000
(2/3,1/3,0) + set click here to show and hide
5	0.77778	0.22222	0.00460	m_x,m_y,m_z	0.00000	0.00000	5.00000
6	0.55556	0.44444	0.50460	m_x,m_y,-m_z	0.00000	0.00000	-5.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_6:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.22222	0.77778	0.99540	m_x,m_y,m_z	0.00000	0.00000	-5.00000
2	0.77778	0.22222	0.49540	m_x,m_y,-m_z	0.00000	0.00000	5.00000
(1/3,2/3,0) + set click here to show and hide
3	0.55555	0.44445	0.99540	m_x,m_y,m_z	0.00000	0.00000	-5.00000
4	0.11111	0.88889	0.49540	m_x,m_y,-m_z	0.00000	0.00000	5.00000
(2/3,1/3,0) + set click here to show and hide
5	0.88889	0.11111	0.99540	m_x,m_y,m_z	0.00000	0.00000	-5.00000
6	0.44445	0.55555	0.49540	m_x,m_y,-m_z	0.00000	0.00000	5.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.25000	m_x,m_y,m_z	0.00000	0.00000	-3.70000
2	0.00000	0.00000	0.75000	m_x,m_y,-m_z	0.00000	0.00000	3.70000
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3	0.33333	0.66667	0.25000	m_x,m_y,m_z	0.00000	0.00000	-3.70000
4	0.33333	0.66667	0.75000	m_x,m_y,-m_z	0.00000	0.00000	3.70000
(2/3,1/3,0) + set click here to show and hide
5	0.66667	0.33333	0.25000	m_x,m_y,m_z	0.00000	0.00000	-3.70000
6	0.66667	0.33333	0.75000	m_x,m_y,-m_z	0.00000	0.00000	3.70000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.33333	0.25000	m_x,m_y,m_z	1.85000	-1.85000	1.85000
2	0.00000	0.66667	0.75000	m_x,m_y,-m_z	1.85000	-1.85000	-1.85000
(1/3,2/3,0) + set click here to show and hide
3	0.33333	0.00000	0.25000	m_x,m_y,m_z	1.85000	-1.85000	1.85000
4	0.33333	0.33334	0.75000	m_x,m_y,-m_z	1.85000	-1.85000	-1.85000
(2/3,1/3,0) + set click here to show and hide
5	0.66667	0.66666	0.25000	m_x,m_y,m_z	1.85000	-1.85000	1.85000
6	0.66667	0.00000	0.75000	m_x,m_y,-m_z	1.85000	-1.85000	-1.85000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.33333	0.75000	m_x,m_y,m_z	-1.85000	1.85000	-1.85000
2	0.00000	0.66667	0.25000	m_x,m_y,-m_z	-1.85000	1.85000	1.85000
(1/3,2/3,0) + set click here to show and hide
3	0.33333	0.00000	0.75000	m_x,m_y,m_z	-1.85000	1.85000	-1.85000
4	0.33333	0.33334	0.25000	m_x,m_y,-m_z	-1.85000	1.85000	1.85000
(2/3,1/3,0) + set click here to show and hide
5	0.66667	0.66666	0.75000	m_x,m_y,m_z	-1.85000	1.85000	-1.85000
6	0.66667	0.00000	0.25000	m_x,m_y,-m_z	-1.85000	1.85000	1.85000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom K1_1:

Atom	x	y	z
1	0.11111	0.22222	0.65780
2	0.88889	0.77778	0.15780
(1/3,2/3,0) + set click here to show and hide
3	0.44444	0.88889	0.65780
4	0.22222	0.44445	0.15780
(2/3,1/3,0) + set click here to show and hide
5	0.77778	0.55555	0.65780
6	0.55556	0.11111	0.15780

Set of atoms in the unit cell related by symmetry with the atom K1_2:

Atom	x	y	z
1	0.22222	0.11111	0.15780
2	0.77778	0.88889	0.65780
(1/3,2/3,0) + set click here to show and hide
3	0.55555	0.77778	0.15780
4	0.11111	0.55556	0.65780
(2/3,1/3,0) + set click here to show and hide
5	0.88889	0.44444	0.15780
6	0.44445	0.22222	0.65780

Set of atoms in the unit cell related by symmetry with the atom K1_3:

Atom	x	y	z
1	0.22222	0.11111	0.34220
2	0.77778	0.88889	0.84220
(1/3,2/3,0) + set click here to show and hide
3	0.55555	0.77778	0.34220
4	0.11111	0.55556	0.84220
(2/3,1/3,0) + set click here to show and hide
5	0.88889	0.44444	0.34220
6	0.44445	0.22222	0.84220

Set of atoms in the unit cell related by symmetry with the atom K1_4:

Atom	x	y	z
1	0.11111	0.22222	0.84220
2	0.88889	0.77778	0.34220
(1/3,2/3,0) + set click here to show and hide
3	0.44444	0.88889	0.84220
4	0.22222	0.44445	0.34220
(2/3,1/3,0) + set click here to show and hide
5	0.77778	0.55555	0.84220
6	0.55556	0.11111	0.34220

Set of atoms in the unit cell related by symmetry with the atom K1_5:

Atom	x	y	z
1	0.11111	0.88889	0.65780
2	0.88889	0.11111	0.15780
(1/3,2/3,0) + set click here to show and hide
3	0.44444	0.55556	0.65780
4	0.22222	0.77778	0.15780
(2/3,1/3,0) + set click here to show and hide
5	0.77778	0.22222	0.65780
6	0.55556	0.44444	0.15780

Set of atoms in the unit cell related by symmetry with the atom K1_6:

Atom	x	y	z
1	0.22222	0.77778	0.34220
2	0.77778	0.22222	0.84220
(1/3,2/3,0) + set click here to show and hide
3	0.55555	0.44445	0.34220
4	0.11111	0.88889	0.84220
(2/3,1/3,0) + set click here to show and hide
5	0.88889	0.11111	0.34220
6	0.44445	0.55555	0.84220

Set of atoms in the unit cell related by symmetry with the atom V1_1:

Atom	x	y	z
1	0.00000	0.00000	0.08000
2	0.00000	0.00000	0.58000
(1/3,2/3,0) + set click here to show and hide
3	0.33333	0.66667	0.08000
4	0.33333	0.66667	0.58000
(2/3,1/3,0) + set click here to show and hide
5	0.66667	0.33333	0.08000
6	0.66667	0.33333	0.58000

Set of atoms in the unit cell related by symmetry with the atom V1_2:

Atom	x	y	z
1	0.00000	0.00000	0.92000
2	0.00000	0.00000	0.42000
(1/3,2/3,0) + set click here to show and hide
3	0.33333	0.66667	0.92000
4	0.33333	0.66667	0.42000
(2/3,1/3,0) + set click here to show and hide
5	0.66667	0.33333	0.92000
6	0.66667	0.33333	0.42000

Set of atoms in the unit cell related by symmetry with the atom V1_3:

Atom	x	y	z
1	0.00000	0.33333	0.08000
2	0.00000	0.66667	0.58000
(1/3,2/3,0) + set click here to show and hide
3	0.33333	0.00000	0.08000
4	0.33333	0.33334	0.58000
(2/3,1/3,0) + set click here to show and hide
5	0.66667	0.66666	0.08000
6	0.66667	0.00000	0.58000

Set of atoms in the unit cell related by symmetry with the atom V1_4:

Atom	x	y	z
1	0.00000	0.33333	0.58000
2	0.00000	0.66667	0.08000
(1/3,2/3,0) + set click here to show and hide
3	0.33333	0.00000	0.58000
4	0.33333	0.33334	0.08000
(2/3,1/3,0) + set click here to show and hide
5	0.66667	0.66666	0.58000
6	0.66667	0.00000	0.08000

Set of atoms in the unit cell related by symmetry with the atom V1_5:

Atom	x	y	z
1	0.00000	0.33333	0.92000
2	0.00000	0.66667	0.42000
(1/3,2/3,0) + set click here to show and hide
3	0.33333	0.00000	0.92000
4	0.33333	0.33334	0.42000
(2/3,1/3,0) + set click here to show and hide
5	0.66667	0.66666	0.92000
6	0.66667	0.00000	0.42000

Set of atoms in the unit cell related by symmetry with the atom V1_6:

Atom	x	y	z
1	0.00000	0.33333	0.42000
2	0.00000	0.66667	0.92000
(1/3,2/3,0) + set click here to show and hide
3	0.33333	0.00000	0.42000
4	0.33333	0.33334	0.92000
(2/3,1/3,0) + set click here to show and hide
5	0.66667	0.66666	0.42000
6	0.66667	0.00000	0.92000

Set of atoms in the unit cell related by symmetry with the atom C1_1:

Atom	x	y	z
1	0.11111	0.22222	0.25000
2	0.88889	0.77778	0.75000
(1/3,2/3,0) + set click here to show and hide
3	0.44444	0.88889	0.25000
4	0.22222	0.44445	0.75000
(2/3,1/3,0) + set click here to show and hide
5	0.77778	0.55555	0.25000
6	0.55556	0.11111	0.75000

Set of atoms in the unit cell related by symmetry with the atom C1_2:

Atom	x	y	z
1	0.22222	0.11111	0.75000
2	0.77778	0.88889	0.25000
(1/3,2/3,0) + set click here to show and hide
3	0.55555	0.77778	0.75000
4	0.11111	0.55556	0.25000
(2/3,1/3,0) + set click here to show and hide
5	0.88889	0.44444	0.75000
6	0.44445	0.22222	0.25000

Set of atoms in the unit cell related by symmetry with the atom C1_3:

Atom	x	y	z
1	0.11111	0.88889	0.25000
2	0.88889	0.11111	0.75000
(1/3,2/3,0) + set click here to show and hide
3	0.44444	0.55556	0.25000
4	0.22222	0.77778	0.75000
(2/3,1/3,0) + set click here to show and hide
5	0.77778	0.22222	0.25000
6	0.55556	0.44444	0.75000

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.10700	0.10327	0.05500
2	0.89300	0.89673	0.55500
(1/3,2/3,0) + set click here to show and hide
3	0.44033	0.76994	0.05500
4	0.22633	0.56340	0.55500
(2/3,1/3,0) + set click here to show and hide
5	0.77367	0.43660	0.05500
6	0.55967	0.23006	0.55500

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Atom	x	y	z
1	0.89673	0.00373	0.05500
2	0.10327	0.99627	0.55500
(1/3,2/3,0) + set click here to show and hide
3	0.23006	0.67040	0.05500
4	0.43660	0.66294	0.55500
(2/3,1/3,0) + set click here to show and hide
5	0.56340	0.33706	0.05500
6	0.76994	0.32960	0.55500

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.99627	0.89300	0.05500
2	0.00373	0.10700	0.55500
(1/3,2/3,0) + set click here to show and hide
3	0.32960	0.55967	0.05500
4	0.33706	0.77367	0.55500
(2/3,1/3,0) + set click here to show and hide
5	0.66294	0.22633	0.05500
6	0.67040	0.44033	0.55500

Set of atoms in the unit cell related by symmetry with the atom O1_4:

Atom	x	y	z
1	0.89300	0.89673	0.94500
2	0.10700	0.10327	0.44500
(1/3,2/3,0) + set click here to show and hide
3	0.22633	0.56340	0.94500
4	0.44033	0.76994	0.44500
(2/3,1/3,0) + set click here to show and hide
5	0.55967	0.23006	0.94500
6	0.77367	0.43660	0.44500

Set of atoms in the unit cell related by symmetry with the atom O1_5:

Atom	x	y	z
1	0.10327	0.99627	0.94500
2	0.89673	0.00373	0.44500
(1/3,2/3,0) + set click here to show and hide
3	0.43660	0.66294	0.94500
4	0.23006	0.67040	0.44500
(2/3,1/3,0) + set click here to show and hide
5	0.76994	0.32960	0.94500
6	0.56340	0.33706	0.44500

Set of atoms in the unit cell related by symmetry with the atom O1_6:

Atom	x	y	z
1	0.00373	0.10700	0.94500
2	0.99627	0.89300	0.44500
(1/3,2/3,0) + set click here to show and hide
3	0.33706	0.77367	0.94500
4	0.32960	0.55967	0.44500
(2/3,1/3,0) + set click here to show and hide
5	0.67040	0.44033	0.94500
6	0.66294	0.22633	0.44500

Set of atoms in the unit cell related by symmetry with the atom O1_7:

Atom	x	y	z
1	0.10700	0.43660	0.05500
2	0.89300	0.56340	0.55500
(1/3,2/3,0) + set click here to show and hide
3	0.44033	0.10327	0.05500
4	0.22633	0.23007	0.55500
(2/3,1/3,0) + set click here to show and hide
5	0.77367	0.76993	0.05500
6	0.55967	0.89673	0.55500

Set of atoms in the unit cell related by symmetry with the atom O1_8:

Atom	x	y	z
1	0.89673	0.33707	0.05500
2	0.10327	0.66293	0.55500
(1/3,2/3,0) + set click here to show and hide
3	0.23006	0.00374	0.05500
4	0.43660	0.32960	0.55500
(2/3,1/3,0) + set click here to show and hide
5	0.56340	0.67040	0.05500
6	0.76994	0.99626	0.55500

Set of atoms in the unit cell related by symmetry with the atom O1_9:

Atom	x	y	z
1	0.99627	0.22633	0.05500
2	0.00373	0.77367	0.55500
(1/3,2/3,0) + set click here to show and hide
3	0.32960	0.89300	0.05500
4	0.33706	0.44034	0.55500
(2/3,1/3,0) + set click here to show and hide
5	0.66294	0.55966	0.05500
6	0.67040	0.10700	0.55500

Set of atoms in the unit cell related by symmetry with the atom O1_10:

Atom	x	y	z
1	0.89300	0.23007	0.55500
2	0.10700	0.76993	0.05500
(1/3,2/3,0) + set click here to show and hide
3	0.22633	0.89674	0.55500
4	0.44033	0.43660	0.05500
(2/3,1/3,0) + set click here to show and hide
5	0.55967	0.56340	0.55500
6	0.77367	0.10326	0.05500

Set of atoms in the unit cell related by symmetry with the atom O1_11:

Atom	x	y	z
1	0.10327	0.32960	0.55500
2	0.89673	0.67040	0.05500
(1/3,2/3,0) + set click here to show and hide
3	0.43660	0.99627	0.55500
4	0.23006	0.33707	0.05500
(2/3,1/3,0) + set click here to show and hide
5	0.76994	0.66293	0.55500
6	0.56340	0.00373	0.05500

Set of atoms in the unit cell related by symmetry with the atom O1_12:

Atom	x	y	z
1	0.00373	0.44033	0.55500
2	0.99627	0.55967	0.05500
(1/3,2/3,0) + set click here to show and hide
3	0.33706	0.10700	0.55500
4	0.32960	0.22634	0.05500
(2/3,1/3,0) + set click here to show and hide
5	0.67040	0.77366	0.55500
6	0.66294	0.89300	0.05500

Set of atoms in the unit cell related by symmetry with the atom O1_13:

Atom	x	y	z
1	0.89300	0.23007	0.94500
2	0.10700	0.76993	0.44500
(1/3,2/3,0) + set click here to show and hide
3	0.22633	0.89674	0.94500
4	0.44033	0.43660	0.44500
(2/3,1/3,0) + set click here to show and hide
5	0.55967	0.56340	0.94500
6	0.77367	0.10326	0.44500

Set of atoms in the unit cell related by symmetry with the atom O1_14:

Atom	x	y	z
1	0.10327	0.32960	0.94500
2	0.89673	0.67040	0.44500
(1/3,2/3,0) + set click here to show and hide
3	0.43660	0.99627	0.94500
4	0.23006	0.33707	0.44500
(2/3,1/3,0) + set click here to show and hide
5	0.76994	0.66293	0.94500
6	0.56340	0.00373	0.44500

Set of atoms in the unit cell related by symmetry with the atom O1_15:

Atom	x	y	z
1	0.00373	0.44033	0.94500
2	0.99627	0.55967	0.44500
(1/3,2/3,0) + set click here to show and hide
3	0.33706	0.10700	0.94500
4	0.32960	0.22634	0.44500
(2/3,1/3,0) + set click here to show and hide
5	0.67040	0.77366	0.94500
6	0.66294	0.89300	0.44500

Set of atoms in the unit cell related by symmetry with the atom O1_16:

Atom	x	y	z
1	0.10700	0.43660	0.44500
2	0.89300	0.56340	0.94500
(1/3,2/3,0) + set click here to show and hide
3	0.44033	0.10327	0.44500
4	0.22633	0.23007	0.94500
(2/3,1/3,0) + set click here to show and hide
5	0.77367	0.76993	0.44500
6	0.55967	0.89673	0.94500

Set of atoms in the unit cell related by symmetry with the atom O1_17:

Atom	x	y	z
1	0.89673	0.33707	0.44500
2	0.10327	0.66293	0.94500
(1/3,2/3,0) + set click here to show and hide
3	0.23006	0.00374	0.44500
4	0.43660	0.32960	0.94500
(2/3,1/3,0) + set click here to show and hide
5	0.56340	0.67040	0.44500
6	0.76994	0.99626	0.94500

Set of atoms in the unit cell related by symmetry with the atom O1_18:

Atom	x	y	z
1	0.99627	0.22633	0.44500
2	0.00373	0.77367	0.94500
(1/3,2/3,0) + set click here to show and hide
3	0.32960	0.89300	0.44500
4	0.33706	0.44034	0.94500
(2/3,1/3,0) + set click here to show and hide
5	0.66294	0.55966	0.44500
6	0.67040	0.10700	0.94500

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.00000	0.00000	0.15520
2	0.00000	0.00000	0.65520
(1/3,2/3,0) + set click here to show and hide
3	0.33333	0.66667	0.15520
4	0.33333	0.66667	0.65520
(2/3,1/3,0) + set click here to show and hide
5	0.66667	0.33333	0.15520
6	0.66667	0.33333	0.65520

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.00000	0.00000	0.84480
2	0.00000	0.00000	0.34480
(1/3,2/3,0) + set click here to show and hide
3	0.33333	0.66667	0.84480
4	0.33333	0.66667	0.34480
(2/3,1/3,0) + set click here to show and hide
5	0.66667	0.33333	0.84480
6	0.66667	0.33333	0.34480

Set of atoms in the unit cell related by symmetry with the atom O2_3:

Atom	x	y	z
1	0.00000	0.33333	0.15520
2	0.00000	0.66667	0.65520
(1/3,2/3,0) + set click here to show and hide
3	0.33333	0.00000	0.15520
4	0.33333	0.33334	0.65520
(2/3,1/3,0) + set click here to show and hide
5	0.66667	0.66666	0.15520
6	0.66667	0.00000	0.65520

Set of atoms in the unit cell related by symmetry with the atom O2_4:

Atom	x	y	z
1	0.00000	0.33333	0.65520
2	0.00000	0.66667	0.15520
(1/3,2/3,0) + set click here to show and hide
3	0.33333	0.00000	0.65520
4	0.33333	0.33334	0.15520
(2/3,1/3,0) + set click here to show and hide
5	0.66667	0.66666	0.65520
6	0.66667	0.00000	0.15520

Set of atoms in the unit cell related by symmetry with the atom O2_5:

Atom	x	y	z
1	0.00000	0.33333	0.84480
2	0.00000	0.66667	0.34480
(1/3,2/3,0) + set click here to show and hide
3	0.33333	0.00000	0.84480
4	0.33333	0.33334	0.34480
(2/3,1/3,0) + set click here to show and hide
5	0.66667	0.66666	0.84480
6	0.66667	0.00000	0.34480

Set of atoms in the unit cell related by symmetry with the atom O2_6:

Atom	x	y	z
1	0.00000	0.33333	0.34480
2	0.00000	0.66667	0.84480
(1/3,2/3,0) + set click here to show and hide
3	0.33333	0.00000	0.34480
4	0.33333	0.33334	0.84480
(2/3,1/3,0) + set click here to show and hide
5	0.66667	0.66666	0.34480
6	0.66667	0.00000	0.84480

Set of atoms in the unit cell related by symmetry with the atom O3_1:

Atom	x	y	z
1	0.02273	0.20850	0.25000
2	0.97727	0.79150	0.75000
(1/3,2/3,0) + set click here to show and hide
3	0.35606	0.87517	0.25000
4	0.31060	0.45817	0.75000
(2/3,1/3,0) + set click here to show and hide
5	0.68940	0.54183	0.25000
6	0.64394	0.12483	0.75000

Set of atoms in the unit cell related by symmetry with the atom O3_2:

Atom	x	y	z
1	0.79150	0.81423	0.25000
2	0.20850	0.18577	0.75000
(1/3,2/3,0) + set click here to show and hide
3	0.12483	0.48090	0.25000
4	0.54183	0.85244	0.75000
(2/3,1/3,0) + set click here to show and hide
5	0.45817	0.14756	0.25000
6	0.87517	0.51910	0.75000

Set of atoms in the unit cell related by symmetry with the atom O3_3:

Atom	x	y	z
1	0.18577	0.97727	0.25000
2	0.81423	0.02273	0.75000
(1/3,2/3,0) + set click here to show and hide
3	0.51910	0.64394	0.25000
4	0.14756	0.68940	0.75000
(2/3,1/3,0) + set click here to show and hide
5	0.85244	0.31060	0.25000
6	0.48090	0.35606	0.75000

Set of atoms in the unit cell related by symmetry with the atom O3_4:

Atom	x	y	z
1	0.02273	0.54183	0.25000
2	0.97727	0.45817	0.75000
(1/3,2/3,0) + set click here to show and hide
3	0.35606	0.20850	0.25000
4	0.31060	0.12484	0.75000
(2/3,1/3,0) + set click here to show and hide
5	0.68940	0.87516	0.25000
6	0.64394	0.79150	0.75000

Set of atoms in the unit cell related by symmetry with the atom O3_5:

Atom	x	y	z
1	0.79150	0.14757	0.25000
2	0.20850	0.85243	0.75000
(1/3,2/3,0) + set click here to show and hide
3	0.12483	0.81424	0.25000
4	0.54183	0.51910	0.75000
(2/3,1/3,0) + set click here to show and hide
5	0.45817	0.48090	0.25000
6	0.87517	0.18576	0.75000

Set of atoms in the unit cell related by symmetry with the atom O3_6:

Atom	x	y	z
1	0.18577	0.31060	0.25000
2	0.81423	0.68940	0.75000
(1/3,2/3,0) + set click here to show and hide
3	0.51910	0.97727	0.25000
4	0.14756	0.35607	0.75000
(2/3,1/3,0) + set click here to show and hide
5	0.85244	0.64393	0.25000
6	0.48090	0.02273	0.75000

Set of atoms in the unit cell related by symmetry with the atom O3_7:

Atom	x	y	z
1	0.97727	0.12483	0.75000
2	0.02273	0.87517	0.25000
(1/3,2/3,0) + set click here to show and hide
3	0.31060	0.79150	0.75000
4	0.35606	0.54184	0.25000
(2/3,1/3,0) + set click here to show and hide
5	0.64394	0.45816	0.75000
6	0.68940	0.20850	0.25000

Set of atoms in the unit cell related by symmetry with the atom O3_8:

Atom	x	y	z
1	0.20850	0.51910	0.75000
2	0.79150	0.48090	0.25000
(1/3,2/3,0) + set click here to show and hide
3	0.54183	0.18577	0.75000
4	0.12483	0.14757	0.25000
(2/3,1/3,0) + set click here to show and hide
5	0.87517	0.85243	0.75000
6	0.45817	0.81423	0.25000

Set of atoms in the unit cell related by symmetry with the atom O3_9:

Atom	x	y	z
1	0.81423	0.35607	0.75000
2	0.18577	0.64393	0.25000
(1/3,2/3,0) + set click here to show and hide
3	0.14756	0.02274	0.75000
4	0.51910	0.31060	0.25000
(2/3,1/3,0) + set click here to show and hide
5	0.48090	0.68940	0.75000
6	0.85244	0.97726	0.25000

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn	0.11111	0.22222	0.00460	6	m_x,m_y,m_z	0.0	0.0	5.	5.00
Mn1_2	Mn	0.22222	0.11111	0.50460	6	m_x,m_y,m_z	0.0	0.0	-5.	5.00
Mn1_3	Mn	0.22222	0.11111	0.99540	6	m_x,m_y,m_z	0.0	0.0	-5.	5.00
Mn1_4	Mn	0.11111	0.22222	0.49540	6	m_x,m_y,m_z	0.0	0.0	5.	5.00
Mn1_5	Mn	0.11111	0.88889	0.00460	6	m_x,m_y,m_z	0.0	0.0	5.	5.00
Mn1_6	Mn	0.22222	0.77778	0.99540	6	m_x,m_y,m_z	0.0	0.0	-5.	5.00
Mn2_1	Mn	0.00000	0.00000	0.25000	6	m_x,m_y,m_z	0.0	0.0	-3.7	3.70
Mn2_2	Mn	0.00000	0.33333	0.25000	6	m_x,m_y,m_z	1.85	-1.85	1.85	3.70
Mn2_3	Mn	0.00000	0.33333	0.75000	6	m_x,m_y,m_z	-1.85	1.85	-1.85	3.70

[Show all magnetic atoms in unit cell and their moment relations]

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given: