data_CdInIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   4.62
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   92.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInIr2
_chemical_formula_sum   'Cd1 In1 Ir2'
_cell_volume   69.75
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.34  0.0  0.58  1.0
  Ir  Ir2  1  0.59  0.31  0.86  1.0
  Ir  Ir3  1  0.09  0.31  0.31  1.0

data_CdInIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.62
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   92.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInIr2
_chemical_formula_sum   'Cd1 In1 Ir2'
_cell_volume   69.75
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.34  0.0  0.58  1.0
  Ir  Ir2  1  0.09  0.31  0.31  1.0
  Ir  Ir3  1  0.59  0.31  0.86  1.0

Cd In Ir Ir