data_CdIrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   147.62
_cell_angle_beta   131.65
_cell_angle_gamma   59.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIrPd
_chemical_formula_sum   'Cd1 Ir1 Pd1'
_cell_volume   49.37
_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  0.83  1.0
  Pd  Pd2  1  0.0  0.0  0.84  1.0

data_CdIrPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.09
_cell_length_c   4.99
_cell_angle_alpha   114.17
_cell_angle_beta   106.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIrPd
_chemical_formula_sum   'Cd1 Ir1 Pd1'
_cell_volume   49.37
_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  1.0  1.0  1.0  1.0
  Pd  Pd1  1  0.16  0.16  0.16  1.0
  Ir  Ir2  1  0.17  0.17  0.17  1.0

Cd Ir Pd
Cd Ir Pd 0 2 o o - 0 1 o o - 1 2 o o o 