data_BSbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   3.21
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   113.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BSbSe2
_chemical_formula_sum   'B1 Sb1 Se2'
_cell_volume   77.49
_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
  Sb  Sb1  1  0.87  0.0  0.63  1.0
  Se  Se2  1  0.16  0.61  0.95  1.0
  Se  Se3  1  0.17  0.61  0.31  1.0

data_BSbSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.59
_cell_length_c   5.73
_cell_angle_alpha   113.24
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BSbSe2
_chemical_formula_sum   'B1 Sb1 Se2'
_cell_volume   77.49
_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
  Sb  Sb1  1  0.0  0.13  0.37  1.0
  Se  Se2  1  0.39  0.83  0.69  1.0
  Se  Se3  1  0.39  0.84  0.05  1.0

B Sb Se Se
BSbSe2 crystallizes in the triclinic P1 space group. B(1) is bonded in a 5-coordinate geometry to one Sb(1), two equivalent Se(1), and two equivalent Se(2) atoms. The B(1)-Sb(1) bond length is 1.96 Å. There is one shorter (1.53 Å) and one longer (2.13 Å) B(1)-Se(1) bond length. There is one shorter (2.07 Å) and one longer (2.54 Å) B(1)-Se(2) bond length. Sb(1) is bonded in a 5-coordinate geometry to one B(1), two equivalent Se(1), and two equivalent Se(2) atoms. There is one shorter (2.19 Å) and one longer (2.64 Å) Sb(1)-Se(1) bond length. There is one shorter (2.97 Å) and one longer (3.27 Å) Sb(1)-Se(2) bond length. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 1-coordinate geometry to two equivalent B(1) and two equivalent Sb(1) atoms. In the second Se site, Se(2) is bonded in a 1-coordinate geometry to two equivalent B(1) and two equivalent Sb(1) atoms.