data_In2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.99
_cell_length_c   3.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2Ir
_chemical_formula_sum   'In4 Ir2'
_cell_volume   147.92
_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  0.86  0.11  0.0  1.0
  In  In1  1  0.83  0.89  0.0  1.0
  In  In2  1  0.2  0.39  0.58  1.0
  In  In3  1  0.48  0.61  0.58  1.0
  Ir  Ir4  1  0.0  0.0  0.0  1.0
  Ir  Ir5  1  0.34  0.5  0.58  1.0

data_In2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   6.68
_cell_length_c   6.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2Ir
_chemical_formula_sum   'In4 Ir2'
_cell_volume   147.92
_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  0.83  0.89  1.0
  In  In1  1  0.0  0.86  0.11  1.0
  In  In2  1  0.58  0.2  0.39  1.0
  In  In3  1  0.58  0.48  0.61  1.0
  Ir  Ir4  1  0.0  0.0  0.0  1.0
  Ir  Ir5  1  0.58  0.34  0.5  1.0

In In In In Ir Ir