# generated using pymatgen
data_LiThB12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81563263
_cell_length_b   5.81563292
_cell_length_c   5.81563187
_cell_angle_alpha   60.00000034
_cell_angle_beta   59.99999870
_cell_angle_gamma   60.00000077
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiThB12
_chemical_formula_sum   'Li1 Th1 B12'
_cell_volume   139.08357976
_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  0.00000000  0.00000000  0.00000000  1.0
  Th  Th1  1  0.50000000  0.50000000  0.50000000  1.0
  B  B2  1  0.40002150  0.09997850  0.09997850  1.0
  B  B3  1  0.90002150  0.59997850  0.59997850  1.0
  B  B4  1  0.40002150  0.40002150  0.09997850  1.0
  B  B5  1  0.90002150  0.90002150  0.59997850  1.0
  B  B6  1  0.09997850  0.40002150  0.09997850  1.0
  B  B7  1  0.59997850  0.90002150  0.59997850  1.0
  B  B8  1  0.09997850  0.09997850  0.40002150  1.0
  B  B9  1  0.59997850  0.59997850  0.90002150  1.0
  B  B10  1  0.40002150  0.09997850  0.40002150  1.0
  B  B11  1  0.90002150  0.59997850  0.90002150  1.0
  B  B12  1  0.09997850  0.40002150  0.40002150  1.0
  B  B13  1  0.59997850  0.90002150  0.90002150  1.0