data_NaBSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   7.0
_cell_angle_alpha   114.16
_cell_angle_beta   114.16
_cell_angle_gamma   41.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBSe2
_chemical_formula_sum   'Na1 B1 Se2'
_cell_volume   82.97
_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
  Na  Na1  1  0.63  0.0  0.15  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.37  0.0  0.01  1.0
  Se  Se3  1  0.9  0.0  0.28  1.0

data_NaBSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.46
_cell_length_c   6.58
_cell_angle_alpha   76.0
_cell_angle_beta   76.08
_cell_angle_gamma   69.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBSe2
_chemical_formula_sum   'Na1 B1 Se2'
_cell_volume   82.97
_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
  Na  Na0  1  0.0  0.49  0.15  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.0  0.36  0.01  1.0
  Se  Se3  1  0.0  0.62  0.28  1.0

Na B Se Se