# generated using pymatgen
data_Ca9(PdAu2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.80285061
_cell_length_b   7.77600524
_cell_length_c   7.80625646
_cell_angle_alpha   70.78996711
_cell_angle_beta   70.34894312
_cell_angle_gamma   70.57260701
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca9(PdAu2)2
_chemical_formula_sum   'Ca9 Pd2 Au4'
_cell_volume   407.89110188
_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  0.00250686  0.00101819  0.99951685  1.0
  Ca  Ca1  1  0.79638601  0.79343203  0.79987791  1.0
  Ca  Ca2  1  0.20036580  0.19819374  0.19774534  1.0
  Ca  Ca3  1  0.33562352  0.60134442  0.84471060  1.0
  Ca  Ca4  1  0.84735763  0.33874019  0.60437703  1.0
  Ca  Ca5  1  0.59795452  0.84295254  0.33358531  1.0
  Ca  Ca6  1  0.66414898  0.39984159  0.15411507  1.0
  Ca  Ca7  1  0.16084869  0.66504222  0.39479609  1.0
  Ca  Ca8  1  0.39512213  0.15945720  0.66793489  1.0
  Pd  Pd9  1  0.41262498  0.84308386  0.04422621  1.0
  Pd  Pd10  1  0.04473651  0.41340383  0.84636637  1.0
  Au  Au11  1  0.16017747  0.95526776  0.58817058  1.0
  Au  Au12  1  0.58965363  0.15390184  0.95509952  1.0
  Au  Au13  1  0.95641034  0.58731298  0.15658906  1.0
  Au  Au14  1  0.83608094  0.04700761  0.41289016  1.0