data_CdReIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   3.82
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdReIr2
_chemical_formula_sum   'Cd1 Re1 Ir2'
_cell_volume   63.59
_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
  Re  Re3  1  0.0  0.0  0.95  1.0
  Ir  Ir1  1  0.41  0.91  0.62  1.0
  Ir  Ir2  1  0.41  0.91  0.29  1.0

data_CdReIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   3.82
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdReIr2
_chemical_formula_sum   'Cd1 Re1 Ir2'
_cell_volume   63.59
_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
  Re  Re1  1  0.0  0.0  0.95  1.0
  Ir  Ir2  1  0.41  0.91  0.29  1.0
  Ir  Ir3  1  0.41  0.91  0.62  1.0

Cd Re Ir Ir