# generated using pymatgen
data_Ca9Pd5Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69551615
_cell_length_b   7.65414619
_cell_length_c   7.67646395
_cell_angle_alpha   71.72485313
_cell_angle_beta   71.14446351
_cell_angle_gamma   71.27793397
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca9Pd5Au
_chemical_formula_sum   'Ca9 Pd5 Au1'
_cell_volume   393.99303254
_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
  Ca  Ca0  1  0.99890281  0.00013845  0.00266302  1.0
  Ca  Ca1  1  0.79366821  0.79596874  0.79836503  1.0
  Ca  Ca2  1  0.20238803  0.20574924  0.19672960  1.0
  Ca  Ca3  1  0.33426463  0.60072763  0.84800421  1.0
  Ca  Ca4  1  0.84038590  0.33458917  0.60535005  1.0
  Ca  Ca5  1  0.60518410  0.84445050  0.33023955  1.0
  Ca  Ca6  1  0.66852485  0.39558409  0.15773751  1.0
  Ca  Ca7  1  0.15502907  0.66343153  0.39246755  1.0
  Ca  Ca8  1  0.39889914  0.15818638  0.67085662  1.0
  Pd  Pd9  1  0.58832038  0.15474510  0.95717573  1.0
  Pd  Pd10  1  0.95623339  0.58817705  0.15061122  1.0
  Pd  Pd11  1  0.84397902  0.04360117  0.41433121  1.0
  Pd  Pd12  1  0.41220887  0.84547208  0.04621418  1.0
  Pd  Pd13  1  0.04402211  0.41367186  0.84329925  1.0
  Au  Au14  1  0.15798850  0.95550502  0.58595628  1.0