# generated using pymatgen
data_Th2PbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.86656615
_cell_length_b   7.86656638
_cell_length_c   8.45842608
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.01321934
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2PbAu2
_chemical_formula_sum   'Th8 Pb4 Au8'
_cell_volume   523.43162345
_cell_formula_units_Z   4
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  0.32752496  0.67247504  0.00000000  1.0
  Th  Th1  1  0.17240672  0.17200870  0.00000000  1.0
  Th  Th2  1  0.67239595  0.32760405  0.50000000  1.0
  Th  Th3  1  0.32758258  0.67241742  0.50000000  1.0
  Th  Th4  1  0.82799130  0.82759328  0.00000000  1.0
  Th  Th5  1  0.67248696  0.32751304  0.00000000  1.0
  Th  Th6  1  0.82748249  0.82751899  0.50000000  1.0
  Th  Th7  1  0.17248101  0.17251751  0.50000000  1.0
  Pb  Pb8  1  0.50015800  0.99998598  0.24973376  1.0
  Pb  Pb9  1  0.50015800  0.99998598  0.75026624  1.0
  Pb  Pb10  1  0.00001402  0.49984200  0.24973376  1.0
  Pb  Pb11  1  0.00001402  0.49984200  0.75026624  1.0
  Au  Au12  1  0.37325375  0.37335310  0.24953909  1.0
  Au  Au13  1  0.87324250  0.12675750  0.75017191  1.0
  Au  Au14  1  0.12650635  0.87349365  0.75023015  1.0
  Au  Au15  1  0.62664690  0.62674625  0.24953909  1.0
  Au  Au16  1  0.12650635  0.87349365  0.24976985  1.0
  Au  Au17  1  0.87324250  0.12675750  0.24982809  1.0
  Au  Au18  1  0.37325375  0.37335310  0.75046091  1.0
  Au  Au19  1  0.62664690  0.62674625  0.75046091  1.0