# generated using pymatgen
data_ThAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56089034
_cell_length_b   6.56088997
_cell_length_c   4.69814055
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000719
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThAu3
_chemical_formula_sum   'Th2 Au6'
_cell_volume   175.13870685
_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  0.33333400  0.66666800  0.75000200  1.0
  Th  Th1  1  0.66666700  0.33333400  0.25000100  1.0
  Au  Au2  1  0.15386829  0.30773558  0.25000100  1.0
  Au  Au3  1  0.69226442  0.84613271  0.25000100  1.0
  Au  Au4  1  0.15386829  0.84613271  0.25000100  1.0
  Au  Au5  1  0.84613271  0.69226342  0.75000200  1.0
  Au  Au6  1  0.30773758  0.15386929  0.75000200  1.0
  Au  Au7  1  0.84613271  0.15386929  0.75000200  1.0