data_Ni3Os2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.67
_cell_length_b   9.67
_cell_length_c   9.67
_cell_angle_alpha   16.03
_cell_angle_beta   16.03
_cell_angle_gamma   16.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3Os2
_chemical_formula_sum   'Ni3 Os2'
_cell_volume   60.06
_cell_formula_units_Z   1
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  0.66  1.0
  Ni  Ni2  1  0.0  0.0  0.97  1.0
  Os  Os3  1  0.0  0.0  0.51  1.0
  Os  Os4  1  0.0  0.0  0.12  1.0

data_Ni3Os2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.67
_cell_length_b   2.7
_cell_length_c   9.67
_cell_angle_alpha   90.0
_cell_angle_beta   99.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni3Os2
_chemical_formula_sum   'Ni6 Os4'
_cell_volume   120.11
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.34  1.0
  Ni  Ni1  2  -0.0  0.0  0.03  1.0
  Ni  Ni2  2  -0.0  0.0  0.0  1.0
  Os  Os3  2  -0.0  0.0  0.49  1.0
  Os  Os4  2  -0.0  0.0  0.88  1.0

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