# generated using pymatgen
data_LiTh4Sc5Si8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16263170
_cell_length_b   7.46632830
_cell_length_c   14.35045286
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTh4Sc5Si8
_chemical_formula_sum   'Li2 Th8 Sc10 Si16'
_cell_volume   767.44155181
_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  0.66295457  0.00485975  0.75000000  1.0
  Li  Li1  1  0.83704543  0.50485975  0.25000000  1.0
  Th  Th2  1  0.00154289  0.17830866  0.40059854  1.0
  Th  Th3  1  0.50917251  0.32945456  0.40075232  1.0
  Th  Th4  1  0.49845711  0.67830866  0.90059854  1.0
  Th  Th5  1  0.49845711  0.67830866  0.59940146  1.0
  Th  Th6  1  0.99082749  0.82945456  0.59924768  1.0
  Th  Th7  1  0.99082749  0.82945456  0.90075232  1.0
  Th  Th8  1  0.50917251  0.32945456  0.09924768  1.0
  Th  Th9  1  0.00154289  0.17830866  0.09940146  1.0
  Sc  Sc10  1  0.34713436  0.17466624  0.62423501  1.0
  Sc  Sc11  1  0.66518330  0.81506596  0.37516078  1.0
  Sc  Sc12  1  0.15286564  0.67466624  0.37576499  1.0
  Sc  Sc13  1  0.83481670  0.31506596  0.87516078  1.0
  Sc  Sc14  1  0.83481670  0.31506596  0.62483922  1.0
  Sc  Sc15  1  0.33133421  0.00094040  0.25000000  1.0
  Sc  Sc16  1  0.34713436  0.17466624  0.87576499  1.0
  Sc  Sc17  1  0.15286564  0.67466624  0.12423501  1.0
  Sc  Sc18  1  0.66518330  0.81506596  0.12483922  1.0
  Sc  Sc19  1  0.16866579  0.50094040  0.75000000  1.0
  Si  Si20  1  0.28796369  0.87946688  0.75000000  1.0
  Si  Si21  1  0.44660425  0.62381470  0.25000000  1.0
  Si  Si22  1  0.05339575  0.12381470  0.75000000  1.0
  Si  Si23  1  0.54334173  0.38470676  0.75000000  1.0
  Si  Si24  1  0.16559329  0.46321666  0.53945320  1.0
  Si  Si25  1  0.95665827  0.88470676  0.25000000  1.0
  Si  Si26  1  0.70043328  0.10641195  0.25000000  1.0
  Si  Si27  1  0.83477265  0.53918671  0.02977125  1.0
  Si  Si28  1  0.33440671  0.96321666  0.03945320  1.0
  Si  Si29  1  0.16559329  0.46321666  0.96054680  1.0
  Si  Si30  1  0.66522735  0.03918671  0.52977125  1.0
  Si  Si31  1  0.33440671  0.96321666  0.46054680  1.0
  Si  Si32  1  0.83477265  0.53918671  0.47022875  1.0
  Si  Si33  1  0.79956672  0.60641195  0.75000000  1.0
  Si  Si34  1  0.21203631  0.37946688  0.25000000  1.0
  Si  Si35  1  0.66522735  0.03918671  0.97022875  1.0