data_CrBiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrBiOs2
_chemical_formula_sum   'Cr1 Bi1 Os2'
_cell_volume   65.08
_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
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.89  0.0  0.0  1.0
  Os  Os2  1  0.45  0.87  0.5  1.0
  Os  Os3  1  0.45  0.13  0.5  1.0

data_CrBiOs2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.73
_cell_length_b   3.0
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   104.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CrBiOs2
_chemical_formula_sum   'Cr1 Bi1 Os2'
_cell_volume   65.08
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.89  0.0  0.0  1.0
  Os  Os2  1  0.45  0.5  0.13  1.0
  Os  Os3  1  0.45  0.5  0.87  1.0

Cr Bi Os Os
Cr Bi Os Os 0 1 - o o 2 3 o + o 