data_BiIr2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   128.88
_cell_angle_beta   128.88
_cell_angle_gamma   75.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIr2Os
_chemical_formula_sum   'Bi1 Ir2 Os1'
_cell_volume   67.3
_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
  Bi  Bi0  1  0.09  0.0  0.92  1.0
  Ir  Ir1  1  0.0  0.0  0.84  1.0
  Ir  Ir2  1  0.0  0.09  0.92  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

data_BiIr2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   4.85
_cell_angle_alpha   115.56
_cell_angle_beta   115.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIr2Os
_chemical_formula_sum   'Bi1 Ir2 Os1'
_cell_volume   67.3
_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
  Bi  Bi0  1  0.08  0.0  0.17  1.0
  Os  Os1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.16  0.0  0.16  1.0
  Ir  Ir3  1  0.17  0.09  0.17  1.0

Bi Ir Ir Os
Bi Ir Ir Os 0 1 o o o 0 3 o o + 1 2 o o o 1 3 o o + 2 3 o o + 