data_InBi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   3.83
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   107.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBi2Ir
_chemical_formula_sum   'In1 Bi2 Ir1'
_cell_volume   101.36
_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
  In  In2  1  0.83  0.0  0.15  1.0
  Bi  Bi0  1  0.89  0.0  0.52  1.0
  Bi  Bi1  1  0.83  0.92  0.73  1.0
  Ir  Ir3  1  0.82  0.92  0.19  1.0

data_InBi2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   4.14
_cell_length_c   6.69
_cell_angle_alpha   107.23
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBi2Ir
_chemical_formula_sum   'In1 Bi2 Ir1'
_cell_volume   101.36
_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
  In  In0  1  0.0  0.17  0.85  1.0
  Bi  Bi1  1  0.0  0.11  0.48  1.0
  Bi  Bi2  1  0.08  0.17  0.27  1.0
  Ir  Ir3  1  0.08  0.18  0.81  1.0

In Bi Bi Ir