data_[Cs1Ta1H2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [6.7723]
_cell_length_b [6.8181]
_cell_length_c [9.6010]
_cell_angle_alpha [74.3963]
_cell_angle_beta [74.8831]
_cell_angle_gamma [73.8576]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsTa(HCl4)2]
_chemical_formula_sum '[Cs1 Ta1 H2 Cl8]'
_cell_volume [401.7677]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Ta  Ta1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.4578  0.7212  0.7594  1.0
  Cl  Cl3  2  0.0998  0.2113  0.1166  1.0
  Cl  Cl4  2  0.1128  0.2110  0.7663  1.0
  Cl  Cl5  2  0.3407  0.7773  0.9856  1.0
  Cl  Cl6  2  0.4727  0.2986  0.3782  1.0
]