data_BP2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   6.47
_cell_angle_alpha   118.01
_cell_angle_beta   118.01
_cell_angle_gamma   35.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BP2Se
_chemical_formula_sum   'B1 P2 Se1'
_cell_volume   76.52
_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  0.0  0.0  1.0
  P  P1  1  0.63  0.0  0.27  1.0
  P  P2  1  0.34  0.0  0.36  1.0
  Se  Se3  1  0.98  0.0  0.81  1.0

data_BP2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.82
_cell_length_c   5.98
_cell_angle_alpha   72.74
_cell_angle_beta   75.65
_cell_angle_gamma   72.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BP2Se
_chemical_formula_sum   'B1 P2 Se1'
_cell_volume   76.52
_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  0.0  0.0  1.0
  P  P1  1  0.0  0.36  0.27  1.0
  P  P2  1  0.0  0.98  0.36  1.0
  Se  Se3  1  0.0  0.17  0.81  1.0

B P P Se
B P P Se 0 3 - o - 0 2 o o o 1 2 o o o 