data_[Tl1H2Pd1Cl8]
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 [P-1]
_cell_length_a [6.5377]
_cell_length_b [6.8435]
_cell_length_c [7.4426]
_cell_angle_alpha [89.9248]
_cell_angle_beta [86.8893]
_cell_angle_gamma [88.9265]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlH2PdCl8]
_chemical_formula_sum '[Tl1 H2 Pd1 Cl8]'
_cell_volume [332.4409]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  H  H1  2  0.2468  0.6951  0.7240  1.0
  Pd  Pd2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1899  0.1657  0.7670  1.0
  Cl  Cl4  2  0.2219  0.7265  0.9680  1.0
  Cl  Cl5  2  0.2290  0.1363  0.2467  1.0
  Cl  Cl6  2  0.2632  0.6759  0.5365  1.0
]