data_[H2W4Cl16]
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 [C2/m]
_cell_length_a [12.4108]
_cell_length_b [8.5627]
_cell_length_c [7.6388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3810]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [H(WCl4)2]
_chemical_formula_sum '[H2 W4 Cl16]'
_cell_volume [811.7602]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  W  W1  4  0.2055  0.0000  0.6973  1
  Cl  Cl2  8  0.1116  0.1837  0.8393  1
  Cl  Cl3  4  0.1171  0.5000  0.2441  1
  Cl  Cl4  4  0.1770  0.0000  0.4065  1
]