# generated using pymatgen
data_PuAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49289675
_cell_length_b   6.44660051
_cell_length_c   4.70743182
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.69509706
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PuAu3
_chemical_formula_sum   'Pu2 Au6'
_cell_volume   171.16307137
_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
  Pu  Pu0  1  0.33417586  0.66758123  0.75000000  1.0
  Pu  Pu1  1  0.66580480  0.33379164  0.25000000  1.0
  Au  Au2  1  0.15458569  0.30976530  0.25000000  1.0
  Au  Au3  1  0.68908479  0.84475767  0.25000000  1.0
  Au  Au4  1  0.15462931  0.84410198  0.25000000  1.0
  Au  Au5  1  0.84568502  0.68944956  0.75000000  1.0
  Au  Au6  1  0.31090820  0.15540288  0.75000000  1.0
  Au  Au7  1  0.84512732  0.15514775  0.75000000  1.0