# generated using pymatgen
data_Th4IrAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48602043
_cell_length_b   5.89608027
_cell_length_c   7.78726885
_cell_angle_alpha   88.78745670
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th4IrAu3
_chemical_formula_sum   'Th4 Ir1 Au3'
_cell_volume   205.92664473
_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  0.25000000  0.35665427  0.67503815  1.0
  Th  Th1  1  0.25000000  0.14827383  0.18050530  1.0
  Th  Th2  1  0.75000000  0.66110449  0.33598722  1.0
  Th  Th3  1  0.75000000  0.85014865  0.80233243  1.0
  Ir  Ir4  1  0.25000000  0.82130946  0.55283303  1.0
  Au  Au5  1  0.25000000  0.65917093  0.04855948  1.0
  Au  Au6  1  0.75000000  0.15842787  0.45236256  1.0
  Au  Au7  1  0.75000000  0.34490950  0.95238282  1.0