data_[W4C16Br8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  W  2.3600  1.3500  0.7667
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8082]
_cell_length_b [8.3386]
_cell_length_c [9.1638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.1684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [WC4(BrO2)2]
_chemical_formula_sum '[W4 C16 Br8 O16]'
_cell_volume [851.7988]
_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  0.0873  0.5000  0.7694  1
  C  C1  8  0.0856  0.3092  0.8998  1
  C  C2  4  0.2207  0.5000  0.7327  1
  C  C3  4  0.2377  0.5000  0.0172  1
  Br  Br4  4  0.0000  0.2792  0.5000  1
  Br  Br5  4  0.1239  0.5000  0.2873  1
  O  O6  8  0.0851  0.1982  0.9752  1
  O  O7  4  0.1782  0.0000  0.8317  1
  O  O8  4  0.2041  0.0000  0.2867  1
]