data_CdIrPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   149.27
_cell_angle_beta   128.32
_cell_angle_gamma   61.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIrPd2
_chemical_formula_sum   'Cd1 Ir1 Pd2'
_cell_volume   65.75
_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
  Ir  Ir1  1  0.0  0.0  0.72  1.0
  Pd  Pd2  1  0.45  0.0  0.45  1.0
  Pd  Pd3  1  0.0  0.39  0.27  1.0

data_CdIrPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.79
_cell_length_c   5.49
_cell_angle_alpha   115.84
_cell_angle_beta   105.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIrPd2
_chemical_formula_sum   'Cd1 Ir1 Pd2'
_cell_volume   65.75
_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
  Pd  Pd1  1  0.0  0.55  0.0  1.0
  Ir  Ir2  1  0.28  0.28  0.28  1.0
  Pd  Pd3  1  0.73  0.12  0.12  1.0

Cd Ir Pd Pd