data_Li2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   7.16
_cell_angle_alpha   90.1
_cell_angle_beta   90.1
_cell_angle_gamma   39.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2B
_chemical_formula_sum   'Li4 B2'
_cell_volume   94.49
_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  0.0  0.0  0.0  1.0
  Li  Li3  1  0.99  0.0  0.58  1.0
  Li  Li4  1  0.34  0.0  0.54  1.0
  Li  Li5  1  0.24  0.0  0.62  1.0
  B  B0  1  0.35  0.0  0.73  1.0
  B  B1  1  0.23  0.0  0.43  1.0

data_Li2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.56
_cell_length_c   7.16
_cell_angle_alpha   90.1
_cell_angle_beta   90.0
_cell_angle_gamma   109.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2B
_chemical_formula_sum   'Li4 B2'
_cell_volume   94.49
_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  Li0  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.0  0.01  0.42  1.0
  Li  Li2  1  0.0  0.66  0.46  1.0
  Li  Li3  1  0.0  0.76  0.38  1.0
  B  B4  1  0.0  0.65  0.27  1.0
  B  B5  1  0.0  0.77  0.57  1.0

Li Li Li Li B B