data_[W4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [3.8836]
_cell_length_b [7.7346]
_cell_length_c [7.6970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [WO3]
_chemical_formula_sum '[W4 O12]'
_cell_volume [231.2018]
_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  0.0288  0.5117  0.7500  1.0
  O  O1  4  0.0000  0.0000  0.0000  1.0
  O  O2  4  0.0014  0.7467  0.2500  1.0
  O  O3  4  0.4940  0.0028  0.7500  1.0
]