data_BW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   4.37
_cell_angle_alpha   102.83
_cell_angle_beta   102.83
_cell_angle_gamma   32.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BW
_chemical_formula_sum   'B3 W3'
_cell_volume   69.51
_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  1  0.97  0.0  0.36  1.0
  B  B1  1  0.95  0.0  0.85  1.0
  B  B2  1  0.43  0.0  0.22  1.0
  W  W3  1  0.37  0.0  0.23  1.0
  W  W4  1  0.61  0.0  0.37  1.0
  W  W5  1  0.27  0.0  0.85  1.0

data_BW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.37
_cell_length_c   5.55
_cell_angle_alpha   102.83
_cell_angle_beta   106.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BW
_chemical_formula_sum   'B3 W3'
_cell_volume   69.51
_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  1  0.0  0.22  0.43  1.0
  B  B1  1  0.0  0.36  0.97  1.0
  B  B2  1  0.0  0.85  0.95  1.0
  W  W3  1  0.0  0.23  0.37  1.0
  W  W4  1  0.0  0.37  0.61  1.0
  W  W5  1  0.0  0.85  0.27  1.0

B B B W W W
B B B W W W 0 1 o o - 0 1 o o o 0 4 o o o 0 3 + o o 0 5 + o o 1 5 + o o 2 3 o o o 2 4 o o o 2 5 o o - 3 5 o o - 