data_[Tl1H2Au1Cl8]
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
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.5913]
_cell_length_b [7.6513]
_cell_length_c [8.0857]
_cell_angle_alpha [64.0002]
_cell_angle_beta [85.7874]
_cell_angle_gamma [64.8678]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlH2AuCl8]
_chemical_formula_sum '[Tl1 H2 Au1 Cl8]'
_cell_volume [378.4692]
_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  0.3754  0.4905  0.2735  1.0
  Au  Au2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.0229  0.9046  0.3161  1.0
  Cl  Cl4  2  0.1112  0.4660  0.7845  1.0
  Cl  Cl5  2  0.3290  0.7632  0.0363  1.0
  Cl  Cl6  2  0.4075  0.3097  0.4299  1.0
]