data_CdCuIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   4.56
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   95.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCuIr2
_chemical_formula_sum   'Cd1 Cu1 Ir2'
_cell_volume   61.52
_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  0.16  0.0  0.45  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.06  0.28  0.12  1.0
  Ir  Ir3  1  0.26  0.28  0.78  1.0

data_CdCuIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.56
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   95.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCuIr2
_chemical_formula_sum   'Cd1 Cu1 Ir2'
_cell_volume   61.52
_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  0.16  0.0  0.45  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.06  0.28  0.12  1.0
  Ir  Ir3  1  0.26  0.28  0.78  1.0

Cd Cu Ir Ir