data_Li2B3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   3.83
_cell_length_c   6.6
_cell_angle_alpha   66.21
_cell_angle_beta   34.7
_cell_angle_gamma   79.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2B3
_chemical_formula_sum   'Li4 B6'
_cell_volume   77.81
_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  Li6  1  0.17  0.25  0.53  1.0
  Li  Li7  1  0.21  0.3  0.53  1.0
  Li  Li8  1  0.77  0.19  0.59  1.0
  Li  Li9  1  0.81  0.14  0.59  1.0
  B  B0  1  0.79  0.27  0.4  1.0
  B  B1  1  0.6  0.28  0.4  1.0
  B  B2  1  0.38  0.17  0.46  1.0
  B  B3  1  0.19  0.16  0.46  1.0
  B  B4  1  0.19  0.78  0.57  1.0
  B  B5  1  0.6  0.89  0.62  1.0

data_Li2B3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   6.15
_cell_angle_alpha   100.91
_cell_angle_beta   100.91
_cell_angle_gamma   113.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2B3
_chemical_formula_sum   'Li4 B6'
_cell_volume   77.81
_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  0.53  0.7  0.75  1.0
  Li  Li1  1  0.53  0.75  0.71  1.0
  Li  Li2  1  0.59  0.81  0.36  1.0
  Li  Li3  1  0.59  0.86  0.4  1.0
  B  B4  1  0.4  0.72  1.0  1.0
  B  B5  1  0.4  0.73  0.19  1.0
  B  B6  1  0.46  0.83  0.84  1.0
  B  B7  1  0.46  0.84  0.65  1.0
  B  B8  1  0.57  0.22  0.76  1.0
  B  B9  1  0.62  0.11  0.22  1.0

Li Li Li Li B B B B B B
Li Li Li Li B B B B B B 0 1 o o o 0 6 o o o 0 7 o o o 1 6 o o o 2 3 o o o 2 4 o o o 2 9 o - o 3 4 o o o 3 9 o - o 4 9 o - o 4 5 o o o 5 6 o o o 5 9 o - o 6 8 o - o 7 8 o - o 