data_InBIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   144.93
_cell_angle_beta   117.01
_cell_angle_gamma   74.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBIr2
_chemical_formula_sum   'In1 B1 Ir2'
_cell_volume   58.72
_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  0.0  0.0  0.9  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.47  0.0  0.49  1.0
  Ir  Ir3  1  0.0  0.55  0.41  1.0

data_InBIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   62.99
_cell_angle_beta   72.47
_cell_angle_gamma   72.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBIr2
_chemical_formula_sum   'In1 B1 Ir2'
_cell_volume   58.72
_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  0.0  0.9  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.53  0.49  1.0
  Ir  Ir3  1  0.55  0.0  0.86  1.0

In B Ir Ir