# generated using pymatgen
data_LiSi2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81721516
_cell_length_b   6.81721516
_cell_length_c   8.81767714
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSi2B
_chemical_formula_sum   'Li8 Si16 B8'
_cell_volume   409.79645321
_cell_formula_units_Z   8
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  0.25406951  0.50000000  0.17305885  1
  Li  Li1  1  0.74593049  0.50000000  0.17305885  1
  Li  Li2  1  0.00000000  0.75406951  0.67305885  1
  Li  Li3  1  0.00000000  0.24593049  0.67305885  1
  Li  Li4  1  0.24593049  0.00000000  0.32694115  1
  Li  Li5  1  0.75406951  0.00000000  0.32694115  1
  Li  Li6  1  0.50000000  0.74593049  0.82694115  1
  Li  Li7  1  0.50000000  0.25406951  0.82694115  1
  Si  Si8  1  0.81926386  0.50000000  0.88606559  1
  Si  Si9  1  0.18073614  0.50000000  0.88606559  1
  Si  Si10  1  0.00000000  0.31926386  0.38606559  1
  Si  Si11  1  0.00000000  0.68073614  0.38606559  1
  Si  Si12  1  0.68073614  0.00000000  0.61393441  1
  Si  Si13  1  0.31926386  0.00000000  0.61393441  1
  Si  Si14  1  0.50000000  0.18073614  0.11393441  1
  Si  Si15  1  0.50000000  0.81926386  0.11393441  1
  Si  Si16  1  0.31667653  0.50000000  0.62984883  1
  Si  Si17  1  0.68332347  0.50000000  0.62984883  1
  Si  Si18  1  0.00000000  0.81667653  0.12984883  1
  Si  Si19  1  0.00000000  0.18332347  0.12984883  1
  Si  Si20  1  0.18332347  0.00000000  0.87015117  1
  Si  Si21  1  0.81667653  0.00000000  0.87015117  1
  Si  Si22  1  0.50000000  0.68332347  0.37015117  1
  Si  Si23  1  0.50000000  0.31667653  0.37015117  1
  B  B24  1  0.24171969  0.75828031  0.00000000  1
  B  B25  1  0.75828031  0.75828031  0.00000000  1
  B  B26  1  0.24171969  0.24171969  0.00000000  1
  B  B27  1  0.75828031  0.24171969  0.00000000  1
  B  B28  1  0.25828031  0.74171969  0.50000000  1
  B  B29  1  0.74171969  0.74171969  0.50000000  1
  B  B30  1  0.25828031  0.25828031  0.50000000  1
  B  B31  1  0.74171969  0.25828031  0.50000000  1
