data_[Tl1Sb1H2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  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 [6.9126]
_cell_length_b [6.9275]
_cell_length_c [8.9111]
_cell_angle_alpha [82.9477]
_cell_angle_beta [73.0184]
_cell_angle_gamma [77.3793]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlSb(HCl4)2]
_chemical_formula_sum '[Tl1 Sb1 H2 Cl8]'
_cell_volume [397.4583]
_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
  Sb  Sb1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.2642  0.6085  0.2399  1.0
  Cl  Cl3  2  0.2015  0.1244  0.1334  1.0
  Cl  Cl4  2  0.2204  0.6767  0.9984  1.0
  Cl  Cl5  2  0.2258  0.0937  0.7502  1.0
  Cl  Cl6  2  0.2885  0.5641  0.3812  1.0
]