data_InBIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   5.55
_cell_angle_alpha   113.05
_cell_angle_beta   113.05
_cell_angle_gamma   40.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBIr2
_chemical_formula_sum   'In1 B1 Ir2'
_cell_volume   60.03
_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  In1  1  0.89  0.0  0.75  1.0
  B  B0  1  0.99  0.0  0.39  1.0
  Ir  Ir2  1  0.95  0.0  0.28  1.0
  Ir  Ir3  1  0.69  0.0  0.14  1.0

data_InBIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.27
_cell_length_c   5.52
_cell_angle_alpha   67.7
_cell_angle_beta   74.36
_cell_angle_gamma   69.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBIr2
_chemical_formula_sum   'In1 B1 Ir2'
_cell_volume   60.03
_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  0.13  0.75  1.0
  B  B1  1  0.0  0.6  0.39  1.0
  Ir  Ir2  1  0.0  0.56  0.14  1.0
  Ir  Ir3  1  0.0  0.67  0.28  1.0

In B Ir Ir