data_[Li2Pd2Cl12]
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/m]
_cell_length_a [6.1681]
_cell_length_b [11.7678]
_cell_length_c [6.9522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6774]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiPdCl6]
_chemical_formula_sum '[Li2 Pd2 Cl12]'
_cell_volume [462.1446]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd1  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl2  8  0.0144  0.8613  0.7483  1.0
  Cl  Cl3  4  0.0871  0.5000  0.3531  1.0
]