data_[Tl4H2Pd2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.1492]
_cell_length_b [5.8206]
_cell_length_c [11.4644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2HPdCl6]
_chemical_formula_sum '[Tl4 H2 Pd2 Cl12]'
_cell_volume [596.8947]
_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
[
  Tl  Tl0  4  0.2463  0.0720  0.3141  1.0
  Pd  Pd1  2  0.0000  0.0000  0.5000  1.0
  H  H2  2  0.5000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.1055  0.5735  0.2235  1.0
  Cl  Cl4  4  0.1937  0.2489  0.0398  1.0
  Cl  Cl5  4  0.4489  0.7116  0.5527  1.0
]