data_BP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   10.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BP2
_chemical_formula_sum   'B2 P4'
_cell_volume   81.11
_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  0.0  0.0  0.56  1.0
  B  B1  1  0.0  0.0  0.52  1.0
  P  P2  1  0.0  0.76  0.71  1.0
  P  P3  1  0.52  0.88  0.68  1.0
  P  P4  1  0.52  0.88  0.36  1.0
  P  P5  1  0.0  0.76  0.4  1.0

data_BP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   10.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BP2
_chemical_formula_sum   'B2 P4'
_cell_volume   81.11
_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  0.0  0.0  0.52  1.0
  B  B1  1  0.0  0.0  0.56  1.0
  P  P2  1  0.0  0.76  0.4  1.0
  P  P3  1  0.0  0.76  0.71  1.0
  P  P4  1  0.52  0.88  0.36  1.0
  P  P5  1  0.52  0.88  0.68  1.0

B B P P P P