data_[W4S4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  W  2.3600  1.3500  0.7667
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0728]
_cell_length_b [3.4214]
_cell_length_c [7.4229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9072]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [WSBr]
_chemical_formula_sum '[W4 S4 Br4]'
_cell_volume [377.0946]
_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  0.1907  0.5000  0.5417  1
  S  S1  4  0.1570  0.0000  0.3127  1
  Br  Br2  4  0.1025  0.5000  0.7869  1
]