data_Bi3Ir2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.39
_cell_length_b   10.39
_cell_length_c   10.39
_cell_angle_alpha   161.47
_cell_angle_beta   160.86
_cell_angle_gamma   26.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi3Ir2
_chemical_formula_sum   'Bi3 Ir2'
_cell_volume   116.66
_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  0.7  1.0
  Bi  Bi1  1  0.0  0.0  0.5  1.0
  Bi  Bi2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.0  0.03  1.0
  Ir  Ir4  1  0.0  0.0  0.17  1.0

data_Bi3Ir2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.45
_cell_length_c   10.39
_cell_angle_alpha   99.57
_cell_angle_beta   99.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi3Ir2
_chemical_formula_sum   'Bi3 Ir2'
_cell_volume   116.66
_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  0.0  1.0
  Bi  Bi1  1  0.0  0.5  0.5  1.0
  Bi  Bi2  1  0.0  0.7  0.7  1.0
  Ir  Ir3  1  0.0  0.03  0.03  1.0
  Ir  Ir4  1  0.0  0.17  0.17  1.0

Bi Bi Bi Ir Ir