data_[Cu2Pd2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2610]
_cell_length_b [6.5593]
_cell_length_c [12.2613]
_cell_angle_alpha [100.2808]
_cell_angle_beta [94.4761]
_cell_angle_gamma [100.5930]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuPdCl4]
_chemical_formula_sum '[Cu2 Pd2 Cl8]'
_cell_volume [329.2626]
_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
[
  Cu  Cu0  2  0.4288  0.7690  0.7561  1.0
  Pd  Pd1  1  0.0000  0.0000  0.0000  1.0
  Pd  Pd2  1  0.5000  0.5000  0.5000  1.0
  Cl  Cl3  2  0.0634  0.6972  0.8789  1.0
  Cl  Cl4  2  0.2696  0.4287  0.6582  1.0
  Cl  Cl5  2  0.3170  0.9102  0.1404  1.0
  Cl  Cl6  2  0.3191  0.1607  0.3954  1.0
]