data_[Te1H1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  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 [6.6073]
_cell_length_b [6.8766]
_cell_length_c [6.8988]
_cell_angle_alpha [81.1996]
_cell_angle_beta [63.7628]
_cell_angle_gamma [61.8579]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TeHCl6]
_chemical_formula_sum '[Te1 H1 Cl6]'
_cell_volume [247.3071]
_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
[
  Te  Te0  1  0.0000  0.0000  0.0000  1.0
  H  H1  1  0.5000  0.0000  0.0000  1.0
  Cl  Cl2  2  0.1374  0.7262  0.2419  1.0
  Cl  Cl3  2  0.1416  0.7134  0.7363  1.0
  Cl  Cl4  2  0.4467  0.9877  0.8035  1.0
]