data_[H4W2Cl16]
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 [12.4862]
_cell_length_b [8.3795]
_cell_length_c [6.4802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3878]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [H2WCl8]
_chemical_formula_sum '[H4 W2 Cl16]'
_cell_volume [678.0007]
_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  4  0.2303  0.5000  0.7180  1.0
  W  W1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.0883  0.1952  0.1868  1.0
  Cl  Cl3  4  0.1287  0.5000  0.6822  1.0
  Cl  Cl4  4  0.1364  0.0000  0.7616  1.0
]