data_B3W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   3.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B3W
_chemical_formula_sum   'B6 W2'
_cell_volume   67.84
_cell_formula_units_Z   2
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  1  0.39  0.43  0.84  1.0
  B  B1  1  0.61  0.43  0.84  1.0
  B  B2  1  0.0  0.02  0.84  1.0
  B  B3  1  0.88  0.51  0.95  1.0
  B  B4  1  0.66  0.51  0.95  1.0
  B  B5  1  0.27  0.92  0.95  1.0
  W  W6  1  0.27  0.31  0.84  1.0
  W  W7  1  0.0  0.63  0.95  1.0

data_B3W
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.79
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   B3W
_chemical_formula_sum   'B6 W2'
_cell_volume   67.84
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.45  0.25  0.96  1.0
  B  B1  2  0.45  0.47  0.96  1.0
  B  B2  2  0.45  0.86  0.55  1.0
  W  W3  2  0.45  0.14  0.84  1.0

B B B B B B W W