# generated using pymatgen
data_Th3IrAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.25637057
_cell_length_b   8.25637070
_cell_length_c   8.25637100
_cell_angle_alpha   114.24595156
_cell_angle_beta   114.24595136
_cell_angle_gamma   114.24593134
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3IrAu3
_chemical_formula_sum   'Th6 Ir2 Au6'
_cell_volume   335.61390173
_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  0.04419862  0.39592917  0.28571930  1.0
  Th  Th1  1  0.39592917  0.28571930  0.04419862  1.0
  Th  Th2  1  0.71428070  0.95580138  0.60407083  1.0
  Th  Th3  1  0.28571930  0.04419862  0.39592917  1.0
  Th  Th4  1  0.60407083  0.71428070  0.95580138  1.0
  Th  Th5  1  0.95580138  0.60407083  0.71428070  1.0
  Ir  Ir6  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir7  1  0.50000000  0.50000000  0.50000000  1.0
  Au  Au8  1  0.42737583  0.93625025  0.77165001  1.0
  Au  Au9  1  0.93625025  0.77165001  0.42737583  1.0
  Au  Au10  1  0.22834999  0.57262417  0.06374975  1.0
  Au  Au11  1  0.77165001  0.42737583  0.93625025  1.0
  Au  Au12  1  0.06374975  0.22834999  0.57262417  1.0
  Au  Au13  1  0.57262417  0.06374975  0.22834999  1.0