# generated using pymatgen
data_LiB11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94736876
_cell_length_b   4.94736876
_cell_length_c   4.94736876
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiB11
_chemical_formula_sum   'Li1 B11'
_cell_volume   85.62643240
_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  0.25000000  0.25000000  0.25000000  1
  B  B1  1  0.75000000  0.75000000  0.75000000  1
  B  B2  1  0.32144100  0.32144100  0.67855900  1
  B  B3  1  0.67855900  0.32144100  0.67855900  1
  B  B4  1  0.32144100  0.67855900  0.67855900  1
  B  B5  1  0.67855900  0.67855900  0.32144100  1
  B  B6  1  0.32144100  0.67855900  0.32144100  1
  B  B7  1  0.67855900  0.32144100  0.32144100  1
  B  B8  1  0.27867800  0.90710700  0.90710700  1
  B  B9  1  0.90710700  0.27867800  0.90710700  1
  B  B10  1  0.90710700  0.90710700  0.90710700  1
  B  B11  1  0.90710700  0.90710700  0.27867800  1
