data_[Pd2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pma2]
_cell_length_a [6.8112]
_cell_length_b [8.1445]
_cell_length_c [17.7577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [28]
_chemical_formula_structural [PdCl4]
_chemical_formula_sum '[Pd2 Cl8]'
_cell_volume [985.0893]
_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
[
  Pd  Pd0  2  0.2500  0.8892  0.4699  1
  Cl  Cl1  4  0.0106  0.7824  0.5476  1
  Cl  Cl2  2  0.0000  0.0000  0.3930  1
  Cl  Cl3  2  0.0000  0.5000  0.5421  1
]