data_Li2BSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   3.63
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BSe
_chemical_formula_sum   'Li2 B1 Se1'
_cell_volume   52.54
_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
  Li  Li1  1  0.43  0.81  0.17  1.0
  Li  Li2  1  0.32  0.81  0.08  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Se  Se3  1  1.0  0.0  0.63  1.0

data_Li2BSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   3.63
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BSe
_chemical_formula_sum   'Li2 B1 Se1'
_cell_volume   52.54
_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
  Li  Li0  1  0.32  0.81  0.08  1.0
  Li  Li1  1  0.43  0.81  0.17  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  1.0  0.0  0.63  1.0

Li Li B Se