data_CdCo2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   4.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCo2Pd
_chemical_formula_sum   'Cd1 Co2 Pd1'
_cell_volume   57.96
_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  0.89  0.89  0.0  1.0
  Co  Co1  1  0.89  0.0  0.03  1.0
  Co  Co2  1  0.0  0.89  0.03  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_CdCo2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   4.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdCo2Pd
_chemical_formula_sum   'Cd2 Co4 Pd2'
_cell_volume   115.92
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.39  0.5  0.0  1.0
  Co  Co1  4  0.44  0.44  0.03  1.0
  Pd  Pd2  2  0.0  0.0  0.0  1.0

Cd Co Co Pd
Cd Co Co Pd 0 2 + o o 0 1 o + o 1 3 + o o 2 3 o + o 