data_[W4Br8O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  W  2.3600  1.3500  0.7667
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [15.3938]
_cell_length_b [3.8860]
_cell_length_c [7.6693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2248]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [W(BrO)2]
_chemical_formula_sum '[W4 Br8 O8]'
_cell_volume [444.7167]
_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  0.0005  0.0486  0.9892  1
  Br  Br1  4  0.1645  0.0150  0.5395  1
  Br  Br2  4  0.3364  0.4846  0.8776  1
  O  O3  4  0.0004  0.4924  0.4756  1
  O  O4  4  0.0005  0.0038  0.2237  1
]