# generated using pymatgen
data_Ba4Al5Au23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.20644705
_cell_length_b   9.43800657
_cell_length_c   9.91788831
_cell_angle_alpha   90.08908594
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Al5Au23
_chemical_formula_sum   'Ba4 Al5 Au23'
_cell_volume   674.55934576
_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  0.25000000  0.24449211  0.11391937  1.0
  Ba  Ba1  1  0.25000000  0.75461950  0.37577179  1.0
  Ba  Ba2  1  0.75000000  0.75255921  0.88041853  1.0
  Ba  Ba3  1  0.75000000  0.24928634  0.62636702  1.0
  Al  Al4  1  0.25000000  0.05736271  0.62692395  1.0
  Al  Al5  1  0.25000000  0.56351413  0.87584943  1.0
  Al  Al6  1  0.75000000  0.93949122  0.37431017  1.0
  Al  Al7  1  0.75000000  0.43628690  0.12431958  1.0
  Al  Al8  1  0.25000000  0.34414717  0.48325292  1.0
  Au  Au9  1  0.25000000  0.82660943  0.02135340  1.0
  Au  Au10  1  0.75000000  0.66934814  0.51897037  1.0
  Au  Au11  1  0.75000000  0.17024156  0.97778084  1.0
  Au  Au12  1  0.05928721  0.10530451  0.39828537  1.0
  Au  Au13  1  0.44414647  0.58405290  0.10954301  1.0
  Au  Au14  1  0.55499295  0.91309921  0.60103351  1.0
  Au  Au15  1  0.94785845  0.41070240  0.89345115  1.0
  Au  Au16  1  0.94500705  0.91309921  0.60103351  1.0
  Au  Au17  1  0.55214155  0.41070240  0.89345115  1.0
  Au  Au18  1  0.44071279  0.10530451  0.39828537  1.0
  Au  Au19  1  0.05585353  0.58405290  0.10954301  1.0
  Au  Au20  1  0.04867399  0.03752136  0.85998529  1.0
  Au  Au21  1  0.45212693  0.53935860  0.63823016  1.0
  Au  Au22  1  0.54726738  0.95958087  0.14583961  1.0
  Au  Au23  1  0.96650939  0.44806495  0.36607629  1.0
  Au  Au24  1  0.95273262  0.95958087  0.14583961  1.0
  Au  Au25  1  0.53349061  0.44806495  0.36607629  1.0
  Au  Au26  1  0.45132601  0.03752136  0.85998529  1.0
  Au  Au27  1  0.04787307  0.53935860  0.63823016  1.0
  Au  Au28  1  0.25000000  0.29161963  0.74216086  1.0
  Au  Au29  1  0.25000000  0.78768808  0.73355990  1.0
  Au  Au30  1  0.75000000  0.70654471  0.23808511  1.0
  Au  Au31  1  0.75000000  0.21081656  0.26206698  1.0