data_[Ba2W2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [7.7295]
_cell_length_b [10.3250]
_cell_length_c [6.0600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0281]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaWCl6]
_chemical_formula_sum '[Ba2 W2 Cl12]'
_cell_volume [459.8935]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.0000  1.0
  W  W1  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl2  8  0.1249  0.3373  0.7843  1.0
  Cl  Cl3  4  0.2194  0.0000  0.5897  1.0
]