data_[W4Cl12O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  W  2.3600  1.3500  0.7667
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [10.8971]
_cell_length_b [10.8971]
_cell_length_c [3.7909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [WCl3O]
_chemical_formula_sum '[W4 Cl12 O4]'
_cell_volume [450.1612]
_cell_formula_units_Z [4]
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
[
  W  W0  4  0.0973  0.0973  0.0000  1
  Cl  Cl1  8  0.1011  0.3097  0.0000  1
  Cl  Cl2  4  0.1246  0.8754  0.0000  1
  O  O3  4  0.0897  0.0897  0.5000  1
]