data_Bi4Os5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.44
_cell_length_b   8.44
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi4Os5
_chemical_formula_sum   'Bi8 Os10'
_cell_volume   363.1
_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  0.0  0.0  0.94  1.0
  Bi  Bi1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.46  0.53  0.41  1.0
  Bi  Bi3  1  0.53  0.0  0.41  1.0
  Bi  Bi4  1  0.24  0.78  0.41  1.0
  Bi  Bi5  1  0.76  0.78  0.47  1.0
  Bi  Bi6  1  0.92  0.0  0.47  1.0
  Bi  Bi7  1  0.54  0.53  0.47  1.0
  Os  Os8  1  0.78  0.81  0.41  1.0
  Os  Os9  1  0.88  0.0  0.41  1.0
  Os  Os10  1  0.56  0.5  0.41  1.0
  Os  Os11  1  0.44  0.5  0.47  1.0
  Os  Os12  1  0.56  0.0  0.47  1.0
  Os  Os13  1  0.22  0.81  0.47  1.0
  Os  Os14  1  0.0  0.87  0.94  1.0
  Os  Os15  1  0.22  0.44  0.0  1.0
  Os  Os16  1  0.22  0.44  0.94  1.0
  Os  Os17  1  0.0  0.87  0.0  1.0

data_Bi4Os5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.88
_cell_length_b   8.44
_cell_length_c   8.44
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi4Os5
_chemical_formula_sum   'Bi8 Os10'
_cell_volume   363.1
_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  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.41  0.24  0.78  1.0
  Bi  Bi2  1  0.41  0.46  0.53  1.0
  Bi  Bi3  1  0.41  0.53  0.0  1.0
  Bi  Bi4  1  0.47  0.54  0.53  1.0
  Bi  Bi5  1  0.47  0.76  0.78  1.0
  Bi  Bi6  1  0.47  0.92  0.0  1.0
  Bi  Bi7  1  0.94  0.0  0.0  1.0
  Os  Os8  1  0.0  0.0  0.87  1.0
  Os  Os9  1  0.0  0.22  0.44  1.0
  Os  Os10  1  0.41  0.56  0.5  1.0
  Os  Os11  1  0.41  0.78  0.81  1.0
  Os  Os12  1  0.41  0.88  0.0  1.0
  Os  Os13  1  0.47  0.22  0.81  1.0
  Os  Os14  1  0.47  0.44  0.5  1.0
  Os  Os15  1  0.47  0.56  0.0  1.0
  Os  Os16  1  0.94  0.0  0.87  1.0
  Os  Os17  1  0.94  0.22  0.44  1.0

Bi Bi Bi Bi Bi Bi Bi Bi Os Os Os Os Os Os Os Os Os Os
Bi Bi Bi Bi Bi Bi Bi Bi Os Os Os Os Os Os Os Os Os Os 0 1 o o + 2 11 o o o 3 12 o o o 4 13 o o o 5 8 o o o 6 9 o o o 7 10 o o o 14 17 o o + 15 16 o o - 