data_Ni2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   105.18
_cell_angle_beta   105.18
_cell_angle_gamma   118.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2Os
_chemical_formula_sum   'Ni4 Os2'
_cell_volume   80.77
_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  0.06  0.82  0.0  1.0
  Ni  Ni1  1  0.06  0.18  0.43  1.0
  Ni  Ni2  1  0.82  0.7  0.0  1.0
  Ni  Ni3  1  0.82  0.06  0.43  1.0
  Os  Os4  1  0.0  0.0  0.21  1.0
  Os  Os5  1  0.0  0.0  0.64  1.0

data_Ni2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   105.18
_cell_angle_beta   105.18
_cell_angle_gamma   118.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2Os
_chemical_formula_sum   'Ni4 Os2'
_cell_volume   80.77
_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  0.18  0.3  0.0  1.0
  Ni  Ni1  1  0.37  0.25  0.43  1.0
  Ni  Ni2  1  0.61  0.37  0.43  1.0
  Ni  Ni3  1  0.94  0.18  0.0  1.0
  Os  Os4  1  0.21  0.21  0.21  1.0
  Os  Os5  1  0.64  0.64  0.64  1.0

Ni Ni Ni Ni Os Os
Ni Ni Ni Ni Os Os 0 2 - o o 1 3 - o o 1 4 o o o 1 5 o o o 2 4 + + o 3 5 + o o 