data_[K1Te1H2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Te  2.1000  1.4000  1.2933
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0790]
_cell_length_b [7.4212]
_cell_length_c [9.3727]
_cell_angle_alpha [87.3851]
_cell_angle_beta [78.9077]
_cell_angle_gamma [70.9882]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KTe(HBr4)2]
_chemical_formula_sum '[K1 Te1 H2 Br8]'
_cell_volume [456.7584]
_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
[
  K  K0  1  0.0000  0.0000  0.5000  1.0
  Te  Te1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.2708  0.2490  0.6847  1.0
  Br  Br3  2  0.1914  0.7537  0.7782  1.0
  Br  Br4  2  0.2461  0.7731  0.1686  1.0
  Br  Br5  2  0.2698  0.1855  0.9244  1.0
  Br  Br6  2  0.2905  0.2887  0.5283  1.0
]