data_[Ta1H1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [6.4677]
_cell_length_b [6.7136]
_cell_length_c [6.9849]
_cell_angle_alpha [63.6113]
_cell_angle_beta [65.8021]
_cell_angle_gamma [73.6758]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TaHCl6]
_chemical_formula_sum '[Ta1 H1 Cl6]'
_cell_volume [245.9972]
_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
[
  Ta  Ta0  1  0.0000  0.0000  0.0000  1.0
  H  H1  1  0.5000  0.0000  0.0000  1.0
  Cl  Cl2  2  0.1951  0.2657  0.6630  1.0
  Cl  Cl3  2  0.2448  0.7164  0.8839  1.0
  Cl  Cl4  2  0.2594  0.9942  0.1858  1.0
]