# generated using pymatgen
data_Th2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99488501
_cell_length_b   6.08135570
_cell_length_c   6.08135422
_cell_angle_alpha   75.93980133
_cell_angle_beta   60.46924554
_cell_angle_gamma   60.46924821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Au
_chemical_formula_sum   'Th4 Au2'
_cell_volume   167.84607182
_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  0.65762057  0.18475687  0.50000000  1.0
  Th  Th1  1  0.84237943  0.50000000  0.81524313  1.0
  Th  Th2  1  0.34237943  0.81524313  0.50000000  1.0
  Th  Th3  1  0.15762057  0.50000000  0.18475687  1.0
  Au  Au4  1  0.75000000  0.00000000  -0.00000000  1.0
  Au  Au5  1  0.25000000  0.00000000  -0.00000000  1.0