# generated using pymatgen
data_CaTh3(PbAu2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05248801
_cell_length_b   8.05248801
_cell_length_c   4.00331122
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.84674604
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTh3(PbAu2)2
_chemical_formula_sum   'Ca1 Th3 Pb2 Au4'
_cell_volume   259.58403188
_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
  Ca  Ca0  1  0.32522427  0.82522427  0.50000000  1.0
  Th  Th1  1  0.67191049  0.17191049  0.50000000  1.0
  Th  Th2  1  0.17615814  0.32807268  0.50000000  1.0
  Th  Th3  1  0.82807268  0.67615814  0.50000000  1.0
  Pb  Pb4  1  0.00784088  0.99649692  0.00000000  1.0
  Pb  Pb5  1  0.49649692  0.50784088  0.00000000  1.0
  Au  Au6  1  0.12208626  0.62208626  0.00000000  1.0
  Au  Au7  1  0.62444532  0.87581435  0.00000000  1.0
  Au  Au8  1  0.37581435  0.12444532  0.00000000  1.0
  Au  Au9  1  0.87195068  0.37195068  0.00000000  1.0