data_[Zr1Tl1H2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [6.7626]
_cell_length_b [7.1213]
_cell_length_c [7.9324]
_cell_angle_alpha [87.9640]
_cell_angle_beta [88.5767]
_cell_angle_gamma [88.9553]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ZrTl(HCl4)2]
_chemical_formula_sum '[Zr1 Tl1 H2 Cl8]'
_cell_volume [381.5961]
_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
[
  Zr  Zr0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  H  H2  2  0.2497  0.3099  0.7051  1.0
  Cl  Cl3  2  0.1959  0.8296  0.7780  1.0
  Cl  Cl4  2  0.2178  0.2735  0.9566  1.0
  Cl  Cl5  2  0.2243  0.8659  0.2232  1.0
  Cl  Cl6  2  0.2664  0.3273  0.5362  1.0
]