# generated using pymatgen
data_LiB3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14105703
_cell_length_b   5.95595135
_cell_length_c   5.95595135
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiB3
_chemical_formula_sum   'Li4 B12'
_cell_volume   146.89719224
_cell_formula_units_Z   4
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  0.50000000  0.17944306  0.67944306  1
  Li  Li1  1  0.50000000  0.82055694  0.32055694  1
  Li  Li2  1  0.50000000  0.32055694  0.17944306  1
  Li  Li3  1  0.50000000  0.67944306  0.82055694  1
  B  B4  1  0.70606910  0.50000000  0.50000000  1
  B  B5  1  0.70606910  0.00000000  -0.00000000  1
  B  B6  1  0.29393090  0.50000000  0.50000000  1
  B  B7  1  0.29393090  0.00000000  -0.00000000  1
  B  B8  1  0.00000000  0.66468880  0.63200926  1
  B  B9  1  0.00000000  0.33531120  0.36799074  1
  B  B10  1  0.00000000  0.83531120  0.13200926  1
  B  B11  1  0.00000000  0.16468880  0.86799074  1
  B  B12  1  0.00000000  0.63200926  0.33531120  1
  B  B13  1  0.00000000  0.36799074  0.66468880  1
  B  B14  1  0.00000000  0.13200926  0.16468880  1
  B  B15  1  0.00000000  0.86799074  0.83531120  1
