data_BSb2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76
_cell_length_b   6.76
_cell_length_c   4.44
_cell_angle_alpha   90.78
_cell_angle_beta   90.78
_cell_angle_gamma   30.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BSb2Se
_chemical_formula_sum   'B1 Sb2 Se1'
_cell_volume   101.71
_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  0.45  0.0  0.84  1.0
  Sb  Sb1  1  0.93  0.0  0.11  1.0
  Sb  Sb2  1  0.59  0.0  0.09  1.0
  Se  Se3  1  0.51  0.0  0.05  1.0

data_BSb2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.44
_cell_length_c   6.76
_cell_angle_alpha   90.78
_cell_angle_beta   105.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BSb2Se
_chemical_formula_sum   'B1 Sb2 Se1'
_cell_volume   101.71
_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  0.84  0.45  1.0
  Sb  Sb1  1  0.0  0.09  0.59  1.0
  Sb  Sb2  1  0.0  0.11  0.93  1.0
  Se  Se3  1  0.0  0.05  0.51  1.0

B Sb Sb Se