# generated using pymatgen
data_LiB9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01192300
_cell_length_b   5.74214797
_cell_length_c   5.74214797
_cell_angle_alpha   119.99999960
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiB9
_chemical_formula_sum   'Li2 B18'
_cell_volume   143.11454766
_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  0.58415500  0.00000000  0.00000000  1
  Li  Li1  1  0.08415500  0.00000000  0.00000000  1
  B  B2  1  0.31250600  0.37152500  0.00000000  1
  B  B3  1  0.31250600  0.62847500  0.62847500  1
  B  B4  1  0.31250600  0.00000000  0.37152500  1
  B  B5  1  0.81250600  0.62847500  0.00000000  1
  B  B6  1  0.81250600  0.37152500  0.37152500  1
  B  B7  1  0.81250600  0.00000000  0.62847500  1
  B  B8  1  0.47255500  0.52645300  0.83082200  1
  B  B9  1  0.47255500  0.30437000  0.47354700  1
  B  B10  1  0.47255500  0.16917800  0.69563000  1
  B  B11  1  0.47255500  0.69563000  0.16917800  1
  B  B12  1  0.47255500  0.83082200  0.52645300  1
  B  B13  1  0.47255500  0.47354700  0.30437000  1
  B  B14  1  0.97255500  0.47354700  0.16917800  1
  B  B15  1  0.97255500  0.69563000  0.52645300  1
  B  B16  1  0.97255500  0.83082200  0.30437000  1
  B  B17  1  0.97255500  0.30437000  0.83082200  1
  B  B18  1  0.97255500  0.16917800  0.47354700  1
  B  B19  1  0.97255500  0.52645300  0.69563000  1
