# generated using pymatgen
data_Th3(IrAu2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73366191
_cell_length_b   7.73366118
_cell_length_c   3.81783546
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001153
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3(IrAu2)2
_chemical_formula_sum   'Th3 Ir2 Au4'
_cell_volume   197.75073740
_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
  Th  Th0  1  0.40969631  0.40969631  0.50000000  1.0
  Th  Th1  1  0.59030369  1.00000000  0.50000000  1.0
  Th  Th2  1  1.00000000  0.59030369  0.50000000  1.0
  Ir  Ir3  1  0.66666700  0.33333300  0.00000000  1.0
  Ir  Ir4  1  0.33333300  0.66666700  0.00000000  1.0
  Au  Au5  1  0.73436698  0.73436698  0.00000000  1.0
  Au  Au6  1  0.26563302  1.00000000  0.00000000  1.0
  Au  Au7  1  1.00000000  0.26563302  0.00000000  1.0
  Au  Au8  1  0.00000000  0.00000000  0.50000000  1.0