data_BiIrOs2
_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   129.36
_cell_angle_beta   129.36
_cell_angle_gamma   74.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIrOs2
_chemical_formula_sum   'Bi1 Ir1 Os2'
_cell_volume   66.59
_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  0.0  0.0  0.86  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.08  0.0  0.93  1.0
  Os  Os3  1  0.0  0.08  0.93  1.0

data_BiIrOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   127.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BiIrOs2
_chemical_formula_sum   'Bi2 Ir2 Os4'
_cell_volume   133.19
_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
  Bi  Bi0  2  0.14  0.0  0.14  1.0
  Os  Os1  4  0.11  0.04  0.14  1.0
  Ir  Ir2  2  0.0  0.0  0.0  1.0

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