data_Cd2CuPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CuPd
_chemical_formula_sum   'Cd2 Cu1 Pd1'
_cell_volume   69.99
_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  0.56  1.0
  Cd  Cd1  1  0.61  0.61  0.94  1.0
  Cu  Cu2  1  0.0  0.0  0.52  1.0
  Pd  Pd3  1  0.61  0.61  0.88  1.0

data_Cd2CuPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2CuPd
_chemical_formula_sum   'Cd4 Cu2 Pd2'
_cell_volume   139.98
_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  0.0  0.0  0.56  1.0
  Cd  Cd1  2  0.11  0.5  0.94  1.0
  Cu  Cu2  2  0.0  0.0  0.52  1.0
  Pd  Pd3  2  0.11  0.5  0.88  1.0

Cd Cd Cu Pd
Cd Cd Cu Pd 0 2 o o o 1 3 o o o 