data_Li2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   96.6
_cell_angle_beta   96.6
_cell_angle_gamma   140.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2B
_chemical_formula_sum   'Li4 B2'
_cell_volume   66.96
_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
  Li  Li2  1  0.22  0.02  0.0  1.0
  Li  Li3  1  0.98  0.19  0.63  1.0
  Li  Li4  1  0.02  0.19  0.0  1.0
  Li  Li5  1  0.19  0.02  0.63  1.0
  B  B0  1  0.0  0.0  0.45  1.0
  B  B1  1  0.0  0.0  0.82  1.0

data_Li2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   83.4
_cell_angle_beta   70.18
_cell_angle_gamma   70.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2B
_chemical_formula_sum   'Li4 B2'
_cell_volume   66.96
_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
  Li  Li0  1  0.02  -0.0  0.2  1.0
  Li  Li1  1  0.19  -0.0  0.83  1.0
  Li  Li2  1  0.38  0.63  0.17  1.0
  Li  Li3  1  0.55  0.63  0.8  1.0
  B  B4  1  0.18  0.82  0.0  1.0
  B  B5  1  0.55  0.45  0.0  1.0

Li Li Li Li B B