# generated using pymatgen
data_Ba8CaAu6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68609297
_cell_length_b   8.68609377
_cell_length_c   8.68609371
_cell_angle_alpha   71.59543508
_cell_angle_beta   71.59543392
_cell_angle_gamma   71.59542895
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba8CaAu6
_chemical_formula_sum   'Ba8 Ca1 Au6'
_cell_volume   572.78439074
_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  0.79857099  0.79857099  0.79857099  1.0
  Ba  Ba1  1  0.20142901  0.20142901  0.20142901  1.0
  Ba  Ba2  1  0.32127703  0.61003771  0.84670080  1.0
  Ba  Ba3  1  0.84670080  0.32127703  0.61003771  1.0
  Ba  Ba4  1  0.61003771  0.84670080  0.32127703  1.0
  Ba  Ba5  1  0.67872297  0.38996229  0.15329920  1.0
  Ba  Ba6  1  0.15329920  0.67872297  0.38996229  1.0
  Ba  Ba7  1  0.38996229  0.15329920  0.67872297  1.0
  Ca  Ca8  1  0.00000000  0.00000000  0.00000000  1.0
  Au  Au9  1  0.14496585  0.96084697  0.60880866  1.0
  Au  Au10  1  0.60880866  0.14496585  0.96084697  1.0
  Au  Au11  1  0.96084697  0.60880866  0.14496585  1.0
  Au  Au12  1  0.85503415  0.03915303  0.39119134  1.0
  Au  Au13  1  0.39119134  0.85503415  0.03915303  1.0
  Au  Au14  1  0.03915303  0.39119134  0.85503415  1.0