data_BSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93
_cell_length_b   9.55
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BSe2
_chemical_formula_sum   'B2 Se4'
_cell_volume   198.78
_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  0.0  1.0
  B  B1  1  0.47  0.78  0.5  1.0
  Se  Se2  1  0.4  0.77  0.0  1.0
  Se  Se3  1  0.53  0.78  0.0  1.0
  Se  Se4  1  0.87  0.56  0.5  1.0
  Se  Se5  1  0.06  0.99  0.5  1.0

data_BSe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   6.93
_cell_length_b   3.0
_cell_length_c   9.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BSe2
_chemical_formula_sum   'B2 Se4'
_cell_volume   198.78
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  B  B1  1  0.47  0.5  0.78  1.0
  Se  Se2  1  0.06  0.5  0.99  1.0
  Se  Se3  1  0.4  0.0  0.77  1.0
  Se  Se4  1  0.53  0.0  0.78  1.0
  Se  Se5  1  0.87  0.5  0.56  1.0

B B Se Se Se Se
B B Se Se Se Se 0 5 o - - 0 5 o - o 1 2 o o o 1 2 o o + 1 3 o o o 1 3 o o + 1 4 o o o 2 3 o o o 3 4 o o o 3 4 o o - 4 4 o o + 