# generated using pymatgen
data_ThHg5(Pd2Au)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.30020294
_cell_length_b   7.51575179
_cell_length_c   12.87915142
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99854127
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThHg5(Pd2Au)6
_chemical_formula_sum   'Th1 Hg5 Pd12 Au6'
_cell_volume   416.24461652
_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
  Th  Th0  1  0.00000000  0.00000000  0.00000000  1.0
  Hg  Hg1  1  0.49998426  0.50000000  0.17267277  1.0
  Hg  Hg2  1  0.99999083  0.00000000  0.33592589  1.0
  Hg  Hg3  1  0.50000000  0.50000000  0.50000000  1.0
  Hg  Hg4  1  0.00000917  0.00000000  0.66407411  1.0
  Hg  Hg5  1  0.50001574  0.50000000  0.82732723  1.0
  Pd  Pd6  1  0.50000100  0.25925041  0.00000000  1.0
  Pd  Pd7  1  0.50000100  0.74074859  0.00000000  1.0
  Pd  Pd8  1  0.99997880  0.25227222  0.16846319  1.0
  Pd  Pd9  1  0.99997880  0.74772878  0.16846319  1.0
  Pd  Pd10  1  0.50000075  0.24999823  0.33476213  1.0
  Pd  Pd11  1  0.50000075  0.75000277  0.33476213  1.0
  Pd  Pd12  1  0.00000000  0.24707595  0.50000000  1.0
  Pd  Pd13  1  0.00000000  0.75292405  0.50000000  1.0
  Pd  Pd14  1  0.49999825  0.24999823  0.66523787  1.0
  Pd  Pd15  1  0.49999825  0.75000277  0.66523787  1.0
  Pd  Pd16  1  0.00002020  0.25227222  0.83153681  1.0
  Pd  Pd17  1  0.00002020  0.74772878  0.83153681  1.0
  Au  Au18  1  0.00000000  0.50000000  0.00000000  1.0
  Au  Au19  1  0.49993808  0.00000000  0.17019965  1.0
  Au  Au20  1  0.99999935  0.50000000  0.33899715  1.0
  Au  Au21  1  0.50000000  0.00000000  0.50000000  1.0
  Au  Au22  1  0.00000065  0.50000000  0.66100285  1.0
  Au  Au23  1  0.50006192  0.00000000  0.82980035  1.0