data_[Pd4Cl16]
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 [C2/c]
_cell_length_a [6.6384]
_cell_length_b [14.0622]
_cell_length_c [6.1292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1965]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PdCl4]
_chemical_formula_sum '[Pd4 Cl16]'
_cell_volume [567.6519]
_cell_formula_units_Z [4]
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  4  0.0000  0.0627  0.7500  1.0
  Cl  Cl1  8  0.2016  0.0605  0.0946  1.0
  Cl  Cl2  8  0.2101  0.8210  0.1360  1.0
]