data_LiB11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   128.68
_cell_angle_beta   128.68
_cell_angle_gamma   75.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiB11
_chemical_formula_sum   'Li1 B11'
_cell_volume   82.84
_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  Li11  1  0.0  0.0  0.0  1.0
  B  B0  1  0.25  0.06  0.38  1.0
  B  B1  1  0.0  0.19  0.48  1.0
  B  B2  1  0.25  0.0  0.33  1.0
  B  B3  1  0.25  0.0  0.78  1.0
  B  B4  1  0.19  0.0  0.72  1.0
  B  B5  1  0.06  0.25  0.62  1.0
  B  B6  1  0.0  0.25  0.05  1.0
  B  B7  1  0.14  0.11  0.05  1.0
  B  B8  1  0.14  0.89  0.05  1.0
  B  B9  1  0.36  0.11  0.05  1.0
  B  B10  1  0.36  0.89  0.05  1.0

data_LiB11
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   5.19
_cell_angle_alpha   115.66
_cell_angle_beta   115.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiB11
_chemical_formula_sum   'Li1 B11'
_cell_volume   82.84
_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  0.0  0.0  0.0  1.0
  B  B1  1  0.16  0.69  0.8  1.0
  B  B2  1  0.16  0.91  0.02  1.0
  B  B3  1  0.3  0.48  0.3  1.0
  B  B4  1  0.32  0.13  0.07  1.0
  B  B5  1  0.33  0.08  0.08  1.0
  B  B6  1  0.37  0.56  0.31  1.0
  B  B7  1  0.72  0.54  0.54  1.0
  B  B8  1  0.78  0.53  0.53  1.0
  B  B9  1  0.8  0.05  0.8  1.0
  B  B10  1  0.94  0.69  0.59  1.0
  B  B11  1  0.94  0.91  0.8  1.0

Li B B B B B B B B B B B
Li B B B B B B B B B B B 0 9 o - o 0 8 o o o 1 3 o o o 2 6 o o o 3 9 o - o 4 5 o o o 4 10 o o + 5 10 o o + 7 8 o o o 8 10 o o o 9 11 o o o 10 11 o - o 