data_CdFePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   2.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFePd
_chemical_formula_sum   'Cd1 Fe1 Pd1'
_cell_volume   48.33
_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  0.23  0.29  0.03  1.0
  Fe  Fe1  1  0.0  0.0  0.18  1.0
  Pd  Pd2  1  0.0  0.57  0.61  1.0

data_CdFePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.45
_cell_length_c   4.45
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFePd
_chemical_formula_sum   'Cd1 Fe1 Pd1'
_cell_volume   48.33
_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  0.03  0.23  0.29  1.0
  Fe  Fe1  1  0.18  0.0  0.0  1.0
  Pd  Pd2  1  0.61  0.0  0.57  1.0

Cd Fe Pd
Cd Fe Pd 0 1 o o o 0 2 o o o 0 2 o o - 1 2 o - o 1 2 o - - 1 2 o o o 2 2 o o + 