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 Ni1:
| Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
| 1 | 0.00000 | 0.00000 | 0.00000 | mx,mx,mx | 0.38900 | 0.38900 | 0.38900 |
| 2 | 0.50000 | 0.00000 | 0.50000 | -mx,-mx,mx | -0.38900 | -0.38900 | 0.38900 |
| 3 | 0.50000 | 0.50000 | 0.00000 | mx,-mx,-mx | 0.38900 | -0.38900 | -0.38900 |
| 4 | 0.00000 | 0.50000 | 0.50000 | -mx,mx,-mx | -0.38900 | 0.38900 | -0.38900 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom S1:
| Atom | x | y | z |
| 1 | 0.39361 | 0.39361 | 0.39361 |
| 2 | 0.10639 | 0.60639 | 0.89361 |
| 3 | 0.89361 | 0.10639 | 0.60639 |
| 4 | 0.60639 | 0.89361 | 0.10639 |
| 5 | 0.60639 | 0.60639 | 0.60639 |
| 6 | 0.89361 | 0.39361 | 0.10639 |
| 7 | 0.10639 | 0.89361 | 0.39361 |
| 8 | 0.39361 | 0.10639 | 0.89361 |
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