# generated using pymatgen
data_Ba9(Pd2Au)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.60965062
_cell_length_b   8.60867988
_cell_length_c   8.57569053
_cell_angle_alpha   71.95815231
_cell_angle_beta   72.30833703
_cell_angle_gamma   72.20494873
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba9(Pd2Au)2
_chemical_formula_sum   'Ba9 Pd4 Au2'
_cell_volume   559.86295850
_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
  Ba  Ba0  1  0.99546415  0.99768001  0.00249682  1.0
  Ba  Ba1  1  0.79860931  0.80278376  0.79283475  1.0
  Ba  Ba2  1  0.20370351  0.20745704  0.21028958  1.0
  Ba  Ba3  1  0.32348406  0.61722665  0.84035701  1.0
  Ba  Ba4  1  0.83582610  0.31897287  0.61359994  1.0
  Ba  Ba5  1  0.62026980  0.83868127  0.32776218  1.0
  Ba  Ba6  1  0.67631603  0.38360715  0.16146604  1.0
  Ba  Ba7  1  0.15544782  0.67646469  0.38966260  1.0
  Ba  Ba8  1  0.38675256  0.15984499  0.67118280  1.0
  Pd  Pd9  1  0.13373675  0.96346209  0.59102257  1.0
  Pd  Pd10  1  0.58832851  0.13057928  0.96414594  1.0
  Pd  Pd11  1  0.96326315  0.58971962  0.13057622  1.0
  Pd  Pd12  1  0.87031046  0.03709382  0.40708942  1.0
  Au  Au13  1  0.40966239  0.86580659  0.03956863  1.0
  Au  Au14  1  0.03882540  0.41062018  0.85794552  1.0