data_[Li4Pd4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [9.2143]
_cell_length_b [10.7691]
_cell_length_c [8.1634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiPdCl5]
_chemical_formula_sum '[Li4 Pd4 Cl20]'
_cell_volume [707.8253]
_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
[
  Li  Li0  4  0.0000  0.3929  0.7500  1.0
  Pd  Pd1  4  0.2500  0.2500  0.5000  1.0
  Cl  Cl2  8  0.1485  0.2138  0.7107  1.0
  Cl  Cl3  8  0.1768  0.4590  0.4951  1.0
  Cl  Cl4  4  0.0000  0.1640  0.2500  1.0
]