data_In2IrBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94
_cell_length_b   6.94
_cell_length_c   4.73
_cell_angle_alpha   109.02
_cell_angle_beta   109.02
_cell_angle_gamma   26.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2IrBr
_chemical_formula_sum   'In2 Ir1 Br1'
_cell_volume   93.95
_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  0.55  0.0  0.4  1.0
  In  In2  1  0.39  0.0  0.05  1.0
  Ir  Ir3  1  0.97  0.0  0.23  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_In2IrBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.73
_cell_length_c   6.94
_cell_angle_alpha   109.02
_cell_angle_beta   103.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2IrBr
_chemical_formula_sum   'In2 Ir1 Br1'
_cell_volume   93.95
_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  0.05  0.39  1.0
  In  In1  1  0.0  0.4  0.55  1.0
  Ir  Ir2  1  0.0  0.23  0.97  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

In In Ir Br