data_InIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   105.56
_cell_angle_beta   105.56
_cell_angle_gamma   117.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InIr2
_chemical_formula_sum   'In2 Ir4'
_cell_volume   104.97
_cell_formula_units_Z   2
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  0.02  1.0
  In  In1  1  0.0  0.0  0.34  1.0
  Ir  Ir2  1  0.88  0.25  0.0  1.0
  Ir  Ir3  1  0.25  0.88  0.68  1.0
  Ir  Ir4  1  0.01  0.88  0.0  1.0
  Ir  Ir5  1  0.12  0.25  0.68  1.0

data_InIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   105.56
_cell_angle_beta   105.56
_cell_angle_gamma   117.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InIr2
_chemical_formula_sum   'In2 Ir4'
_cell_volume   104.97
_cell_formula_units_Z   2
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  0.02  0.02  0.02  1.0
  In  In1  1  0.34  0.34  0.34  1.0
  Ir  Ir2  1  0.12  0.75  -0.0  1.0
  Ir  Ir3  1  0.43  0.8  0.68  1.0
  Ir  Ir4  1  0.56  0.43  0.68  1.0
  Ir  Ir5  1  0.99  0.12  -0.0  1.0

In In Ir Ir Ir Ir