data_[H1W1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  W  2.3600  1.3500  0.7667
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4340]
_cell_length_b [6.5916]
_cell_length_c [6.7998]
_cell_angle_alpha [64.9687]
_cell_angle_beta [65.8622]
_cell_angle_gamma [70.5071]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HWCl6]
_chemical_formula_sum '[H1 W1 Cl6]'
_cell_volume [233.9067]
_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
[
  H  H0  1  0.5000  0.0000  0.0000  1.0
  W  W1  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  2  0.1943  0.2515  0.6661  1.0
  Cl  Cl3  2  0.2460  0.6959  0.8865  1.0
  Cl  Cl4  2  0.2588  0.9803  0.1906  1.0
]