data_B2PW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   4.2
_cell_angle_alpha   138.9
_cell_angle_beta   119.79
_cell_angle_gamma   75.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2PW
_chemical_formula_sum   'B2 P1 W1'
_cell_volume   41.26
_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  1  0.47  0.0  0.46  1.0
  B  B1  1  0.0  0.11  0.86  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.32  1.0

data_B2PW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.2
_cell_length_c   4.2
_cell_angle_alpha   60.21
_cell_angle_beta   69.45
_cell_angle_gamma   69.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2PW
_chemical_formula_sum   'B2 P1 W1'
_cell_volume   41.26
_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  1  0.0  0.53  0.46  1.0
  B  B1  1  0.11  0.0  0.75  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  -0.0  0.32  1.0

B B P W
B B P W 0 2 o o o 0 3 o o o 0 1 + o o 1 2 o o + 2 3 o o o 