# generated using pymatgen
data_Ba5Ca5Au8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41286960
_cell_length_b   8.34098309
_cell_length_c   8.42958134
_cell_angle_alpha   70.04455972
_cell_angle_beta   90.29726740
_cell_angle_gamma   89.71039098
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba5Ca5Au8
_chemical_formula_sum   'Ba5 Ca5 Au8'
_cell_volume   555.97941196
_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  0.32589459  0.06338344  0.30491552  1.0
  Ba  Ba1  1  0.17174727  0.56819354  0.30247394  1.0
  Ba  Ba2  1  0.82499320  0.43580111  0.69248772  1.0
  Ba  Ba3  1  0.33363225  0.25418967  0.74362274  1.0
  Ba  Ba4  1  0.67807294  0.93086605  0.69513640  1.0
  Ca  Ca5  1  0.99336592  0.99610344  0.00505958  1.0
  Ca  Ca6  1  0.83440076  0.24782600  0.24796755  1.0
  Ca  Ca7  1  0.16466032  0.75114451  0.75490540  1.0
  Ca  Ca8  1  0.66850402  0.74750603  0.25015511  1.0
  Ca  Ca9  1  0.50359295  0.50419106  0.00358074  1.0
  Au  Au10  1  0.87111875  0.62915166  0.00342847  1.0
  Au  Au11  1  0.95802732  0.86719927  0.41082288  1.0
  Au  Au12  1  0.12058391  0.37510823  0.00667139  1.0
  Au  Au13  1  0.55054193  0.37402321  0.39439119  1.0
  Au  Au14  1  0.37403059  0.85901522  0.00803756  1.0
  Au  Au15  1  0.46122289  0.65196741  0.58195158  1.0
  Au  Au16  1  0.02825027  0.12054177  0.58436215  1.0
  Au  Au17  1  0.63736013  0.12379038  0.01002906  1.0