[CIF]
data_BPSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94963252
_cell_length_b   2.94963252
_cell_length_c   7.94464708
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPSe2
_chemical_formula_sum   'B1 P1 Se2'
_cell_volume   69.12106724
_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  0.00000000  0.00000000  5.27724231  1
  P  P1  1  1.47481626  1.47481626  4.77833611  1
  Se  Se2  1  0.00000000  0.00000000  7.30500074  1
  Se  Se3  1  1.47481626  1.47481626  2.50103846  1
[/CIF]
