data_Li2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   5.16
_cell_angle_alpha   108.68
_cell_angle_beta   108.68
_cell_angle_gamma   21.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2B
_chemical_formula_sum   'Li4 B2'
_cell_volume   71.49
_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  0.73  0.0  0.61  1.0
  Li  Li3  1  0.9  0.0  0.26  1.0
  Li  Li4  1  0.25  0.0  0.81  1.0
  Li  Li5  1  0.39  0.0  0.07  1.0
  B  B0  1  0.74  0.0  0.11  1.0
  B  B1  1  0.89  0.0  0.76  1.0

data_Li2B
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.38
_cell_length_b   5.16
_cell_length_c   6.27
_cell_angle_alpha   108.68
_cell_angle_beta   100.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Li2B
_chemical_formula_sum   'Li4 B2'
_cell_volume   71.49
_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
  Li  Li0  2  0.0  0.18  0.41  1.0
  Li  Li1  2  0.0  0.37  0.93  1.0
  B  B2  2  0.0  0.32  0.57  1.0

Li Li Li Li B B