data_[B8W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.0188]
_cell_length_b [3.0188]
_cell_length_c [14.0895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [B2W]
_chemical_formula_sum '[B8 W4]'
_cell_volume [111.1944]
_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
[
  B  B0  4  0.3333  0.6667  0.4773  1.0
  B  B1  2  0.0000  0.0000  0.2500  1.0
  B  B2  2  0.3333  0.6667  0.2500  1.0
  W  W3  4  0.3333  0.6667  0.6348  1.0
]