data_[Hf1Tl1H2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7818]
_cell_length_b [7.1006]
_cell_length_c [7.9095]
_cell_angle_alpha [88.2311]
_cell_angle_beta [88.8803]
_cell_angle_gamma [88.9034]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HfTl(HCl4)2]
_chemical_formula_sum '[Hf1 Tl1 H2 Cl8]'
_cell_volume [380.5567]
_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
[
  Hf  Hf0  1  0.0000  0.0000  0.0000  1
  Tl  Tl1  1  0.0000  0.0000  0.5000  1
  H  H2  2  0.2520  0.3059  0.7088  1
  Cl  Cl3  2  0.1918  0.8280  0.7819  1
  Cl  Cl4  2  0.2184  0.2683  0.9599  1
  Cl  Cl5  2  0.2201  0.8633  0.2201  1
  Cl  Cl6  2  0.2697  0.3246  0.5396  1
]