data_[K1Ta1H2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ta  1.5000  1.4500  0.8200
  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 [6.7700]
_cell_length_b [7.4071]
_cell_length_c [8.8103]
_cell_angle_alpha [113.7679]
_cell_angle_beta [90.6187]
_cell_angle_gamma [110.6292]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KTa(HCl4)2]
_chemical_formula_sum '[K1 Ta1 H2 Cl8]'
_cell_volume [372.3338]
_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
  Ta  Ta1  1  0.0000  0.0000  0.0000  1
  H  H2  2  0.4354  0.5444  0.2875  1
  Cl  Cl3  2  0.0584  0.7777  0.7378  1
  Cl  Cl4  2  0.1075  0.8140  0.1276  1
  Cl  Cl5  2  0.3622  0.2461  0.0581  1
  Cl  Cl6  2  0.4837  0.7222  0.4260  1
]