data_[B3W6N12]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.8622]
_cell_length_b [2.8622]
_cell_length_c [34.1147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [B(WN2)2]
_chemical_formula_sum '[B3 W6 N12]'
_cell_volume [242.0331]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3885  1
  W  W1  3  0.0000  0.0000  0.1652  1
  W  W2  3  0.0000  0.0000  0.9287  1
  N  N3  3  0.0000  0.0000  0.0541  1
  N  N4  3  0.0000  0.0000  0.2919  1
  N  N5  3  0.0000  0.0000  0.4650  1
  N  N6  3  0.0000  0.0000  0.8706  1
]