data_Cd2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   147.22
_cell_angle_beta   147.22
_cell_angle_gamma   47.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Pd
_chemical_formula_sum   'Cd2 Pd1'
_cell_volume   56.76
_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  0.67  1.0
  Cd  Cd1  1  0.0  0.0  0.95  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_Cd2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   113.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2Pd
_chemical_formula_sum   'Cd4 Pd2'
_cell_volume   113.53
_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  0.05  1.0
  Cd  Cd1  2  0.0  0.0  0.33  1.0
  Pd  Pd2  2  0.0  0.0  0.0  1.0

Cd Cd Pd