data_Bi3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.38
_cell_length_b   7.38
_cell_length_c   4.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi3Os
_chemical_formula_sum   'Bi6 Os2'
_cell_volume   220.9
_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
  Bi  Bi0  1  0.04  0.64  0.32  1.0
  Bi  Bi1  1  0.04  0.36  0.11  1.0
  Bi  Bi2  1  0.81  0.08  0.32  1.0
  Bi  Bi3  1  0.28  0.92  0.11  1.0
  Bi  Bi4  1  0.81  0.92  0.11  1.0
  Bi  Bi5  1  0.28  0.08  0.32  1.0
  Os  Os6  1  0.04  0.4  0.32  1.0
  Os  Os7  1  0.04  0.6  0.11  1.0

data_Bi3Os
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.43
_cell_length_b   7.38
_cell_length_c   7.38
_cell_angle_alpha   113.55
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Bi3Os
_chemical_formula_sum   'Bi6 Os2'
_cell_volume   220.9
_cell_formula_units_Z   2
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
  Bi  Bi0  2  0.11  0.0  0.64  1.0
  Bi  Bi1  2  0.11  0.24  0.08  1.0
  Bi  Bi2  2  0.11  0.76  0.08  1.0
  Os  Os3  2  0.11  0.0  0.4  1.0

Bi Bi Bi Bi Bi Bi Os Os