# generated using pymatgen
data_Ba3PdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.62055586
_cell_length_b   8.62055618
_cell_length_c   8.62055654
_cell_angle_alpha   72.16981457
_cell_angle_beta   72.16981144
_cell_angle_gamma   72.16981367
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3PdAu
_chemical_formula_sum   'Ba9 Pd3 Au3'
_cell_volume   564.38785127
_cell_formula_units_Z   3
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
  Ba  Ba0  1  0.99751946  0.99751946  0.99751946  1.0
  Ba  Ba1  1  0.79988047  0.79988047  0.79988047  1.0
  Ba  Ba2  1  0.20841572  0.20841572  0.20841572  1.0
  Ba  Ba3  1  0.32472889  0.61586685  0.83789083  1.0
  Ba  Ba4  1  0.83789083  0.32472889  0.61586685  1.0
  Ba  Ba5  1  0.61586685  0.83789083  0.32472889  1.0
  Ba  Ba6  1  0.67267021  0.38865416  0.15801743  1.0
  Ba  Ba7  1  0.15801743  0.67267021  0.38865416  1.0
  Ba  Ba8  1  0.38865416  0.15801743  0.67267021  1.0
  Pd  Pd9  1  0.13465667  0.96320686  0.58892697  1.0
  Pd  Pd10  1  0.58892697  0.13465667  0.96320686  1.0
  Pd  Pd11  1  0.96320686  0.58892697  0.13465667  1.0
  Au  Au12  1  0.86260228  0.03834779  0.40861541  1.0
  Au  Au13  1  0.40861541  0.86260228  0.03834779  1.0
  Au  Au14  1  0.03834779  0.40861541  0.86260228  1.0