# generated using pymatgen
data_ThAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87966839
_cell_length_b   4.60523425
_cell_length_c   6.15709654
_cell_angle_alpha   90.00000000
_cell_angle_beta   71.63577136
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThAu
_chemical_formula_sum   'Th2 Au2'
_cell_volume   104.40513661
_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  0.14796036  0.75000000  0.70407728  1.0
  Th  Th1  1  0.85203964  0.25000000  0.29592272  1.0
  Au  Au2  1  0.42216937  0.75000000  0.15566025  1.0
  Au  Au3  1  0.57783063  0.25000000  0.84433975  1.0