# generated using pymatgen
data_ThPbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21060209
_cell_length_b   5.09162858
_cell_length_c   5.09162799
_cell_angle_alpha   61.61287099
_cell_angle_beta   59.22399319
_cell_angle_gamma   59.22403708
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThPbAu2
_chemical_formula_sum   'Th1 Pb1 Au2'
_cell_volume   95.44969494
_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  0.74999351  0.75000907  0.75000907  1.0
  Pb  Pb1  1  0.24998032  0.25000801  0.25000801  1.0
  Au  Au2  1  0.50033432  0.49966999  0.49966999  1.0
  Au  Au3  1  -0.00030515  0.00031592  0.00031592  1.0