data_[B2W4C5]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [2.7673]
_cell_length_b [2.7673]
_cell_length_c [18.2847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [B2W4C5]
_chemical_formula_sum '[B2 W4 C5]'
_cell_volume [121.2673]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  1.0000  1
  W  W1  2  0.0000  0.0000  0.0966  1
  W  W2  2  0.3333  0.6667  0.5787  1
  C  C3  2  0.3333  0.6667  0.6986  1
  C  C4  2  0.3333  0.6667  0.3049  1
  C  C5  1  0.0000  0.0000  0.5000  1
]