# generated using pymatgen
data_ThAl8SiAu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04852315
_cell_length_b   6.04852325
_cell_length_c   14.75110253
_cell_angle_alpha   101.83063371
_cell_angle_beta   101.83063325
_cell_angle_gamma   89.99999432
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThAl8SiAu4
_chemical_formula_sum   'Th2 Al16 Si2 Au8'
_cell_volume   516.48213242
_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
  Th  Th0  1  0.75000000  0.25000000  0.50000000  1.0
  Th  Th1  1  0.25000000  0.75000000  0.50000000  1.0
  Al  Al2  1  0.30312954  0.30312954  0.10527359  1.0
  Al  Al3  1  0.80214305  0.30312954  0.10527359  1.0
  Al  Al4  1  0.30312954  0.80214305  0.10527359  1.0
  Al  Al5  1  0.80214305  0.80214305  0.10527359  1.0
  Al  Al6  1  0.40589479  0.40589479  0.31199188  1.0
  Al  Al7  1  0.90609809  0.40589479  0.31199188  1.0
  Al  Al8  1  0.40589479  0.90609809  0.31199188  1.0
  Al  Al9  1  0.90609809  0.90609809  0.31199188  1.0
  Al  Al10  1  0.09390291  0.09390291  0.68800712  1.0
  Al  Al11  1  0.59410421  0.09390291  0.68800712  1.0
  Al  Al12  1  0.09390291  0.59410421  0.68800712  1.0
  Al  Al13  1  0.59410421  0.59410421  0.68800712  1.0
  Al  Al14  1  0.19785695  0.19785695  0.89472641  1.0
  Al  Al15  1  0.69686946  0.19785695  0.89472641  1.0
  Al  Al16  1  0.19785695  0.69686946  0.89472641  1.0
  Al  Al17  1  0.69686946  0.69686946  0.89472641  1.0
  Si  Si18  1  0.20667954  0.20667954  0.41336009  1.0
  Si  Si19  1  0.79331946  0.79331946  0.58663991  1.0
  Au  Au20  1  0.00000000  0.00000000  0.00000000  1.0
  Au  Au21  1  0.49999900  0.49999900  0.00000000  1.0
  Au  Au22  1  0.60540294  0.10540394  0.21080788  1.0
  Au  Au23  1  0.10540394  0.60540294  0.21080788  1.0
  Au  Au24  1  0.70652540  0.70652540  0.41305081  1.0
  Au  Au25  1  0.29347360  0.29347360  0.58694919  1.0
  Au  Au26  1  0.89459606  0.39459606  0.78919212  1.0
  Au  Au27  1  0.39459606  0.89459606  0.78919212  1.0