data_BiIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   126.02
_cell_angle_beta   126.02
_cell_angle_gamma   79.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIr2
_chemical_formula_sum   'Bi2 Ir4'
_cell_volume   119.79
_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  0.61  1.0
  Bi  Bi1  1  0.0  0.0  0.2  1.0
  Ir  Ir2  1  0.92  0.68  0.0  1.0
  Ir  Ir3  1  0.68  0.92  0.41  1.0
  Ir  Ir4  1  0.53  0.92  0.0  1.0
  Ir  Ir5  1  0.08  0.68  0.41  1.0

data_BiIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.75
_cell_angle_alpha   116.99
_cell_angle_beta   116.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIr2
_chemical_formula_sum   'Bi2 Ir4'
_cell_volume   119.79
_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  0.2  0.2  0.2  1.0
  Bi  Bi1  1  0.61  0.61  0.61  1.0
  Ir  Ir2  1  0.08  0.47  0.54  1.0
  Ir  Ir3  1  0.32  0.08  0.39  1.0
  Ir  Ir4  1  0.48  0.72  0.8  1.0
  Ir  Ir5  1  0.72  0.33  0.65  1.0

Bi Bi Ir Ir Ir Ir