# generated using pymatgen
data_Hf2ThAu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78996645
_cell_length_b   5.78996590
_cell_length_c   5.78996737
_cell_angle_alpha   103.02868830
_cell_angle_beta   103.02867854
_cell_angle_gamma   123.30683131
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ThAu4
_chemical_formula_sum   'Hf2 Th1 Au4'
_cell_volume   142.76711857
_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
  Hf  Hf0  1  0.25000000  0.75000000  0.50000000  1.0
  Hf  Hf1  1  0.75000000  0.25000000  0.50000000  1.0
  Th  Th2  1  0.00000000  0.00000000  0.00000000  1.0
  Au  Au3  1  0.30310911  0.30310911  0.60621821  1.0
  Au  Au4  1  0.69689089  0.69689089  0.39378179  1.0
  Au  Au5  1  0.69689089  0.30310911  1.00000000  1.0
  Au  Au6  1  0.30310911  0.69689089  0.00000000  1.0