data_CdPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   6.75
_cell_angle_alpha   103.83
_cell_angle_beta   103.83
_cell_angle_gamma   31.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPd2
_chemical_formula_sum   'Cd2 Pd4'
_cell_volume   101.26
_cell_formula_units_Z   2
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  0.74  0.0  0.47  1.0
  Cd  Cd1  1  0.51  0.0  0.28  1.0
  Pd  Pd2  1  0.66  0.0  0.8  1.0
  Pd  Pd3  1  0.54  0.0  0.96  1.0
  Pd  Pd4  1  0.37  0.0  0.38  1.0
  Pd  Pd5  1  0.91  0.0  0.16  1.0

data_CdPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   5.44
_cell_length_c   6.75
_cell_angle_alpha   103.83
_cell_angle_beta   90.0
_cell_angle_gamma   105.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPd2
_chemical_formula_sum   'Cd2 Pd4'
_cell_volume   101.26
_cell_formula_units_Z   2
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  0.26  0.53  1.0
  Cd  Cd1  1  0.0  0.49  0.72  1.0
  Pd  Pd2  1  0.0  0.09  0.84  1.0
  Pd  Pd3  1  0.0  0.34  0.2  1.0
  Pd  Pd4  1  0.0  0.46  0.04  1.0
  Pd  Pd5  1  0.0  0.63  0.62  1.0

Cd Cd Pd Pd Pd Pd