data_[Tl1H2Pd1F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.4636]
_cell_length_b [5.0809]
_cell_length_c [9.4735]
_cell_angle_alpha [78.8339]
_cell_angle_beta [83.9446]
_cell_angle_gamma [72.3521]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlH2PdF8]
_chemical_formula_sum '[Tl1 H2 Pd1 F8]'
_cell_volume [155.6680]
_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  0.5000  0.5000  1.0
  H  H1  2  0.0140  0.2417  0.2395  1.0
  Pd  Pd2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.0793  0.9484  0.7941  1.0
  F  F4  2  0.0937  0.4109  0.2745  1.0
  F  F5  2  0.3837  0.7840  0.4555  1.0
  F  F6  2  0.4334  0.2527  0.9622  1.0
]