data_NiOsN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   12.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiOsN2
_chemical_formula_sum   'Ni2 Os2 N4'
_cell_volume   87.65
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.11  1.0
  Os  Os2  1  0.0  0.66  0.06  1.0
  Os  Os3  1  0.44  0.83  0.17  1.0
  N  N4  1  0.0  0.0  0.95  1.0
  N  N5  1  0.0  0.0  0.28  1.0
  N  N6  1  0.0  0.0  0.84  1.0
  N  N7  1  0.0  0.0  0.39  1.0

data_NiOsN2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   12.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiOsN2
_chemical_formula_sum   'Ni2 Os2 N4'
_cell_volume   87.65
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.11  1.0
  Os  Os2  1  0.0  0.66  0.06  1.0
  Os  Os3  1  0.44  0.83  0.17  1.0
  N  N4  1  0.0  0.0  0.28  1.0
  N  N5  1  0.0  0.0  0.39  1.0
  N  N6  1  0.0  0.0  0.84  1.0
  N  N7  1  0.0  0.0  0.95  1.0

Ni Ni Os Os N N N N
Ni Ni Os Os N N N N 0 4 o o - 0 1 o o o 0 2 o - o 1 2 o - o 1 3 o - o 1 3 - - o 2 3 o o o 3 5 + + o 4 6 o o o 5 7 o o o 