# generated using pymatgen
data_Ca3Er(Al3Pd)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.60759381
_cell_length_b   7.60412821
_cell_length_c   9.44916830
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.56189499
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Er(Al3Pd)6
_chemical_formula_sum   'Ca3 Er1 Al18 Pd6'
_cell_volume   475.46804731
_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  0.99400492  0.66984736  0.25000000  1.0
  Ca  Ca1  1  0.00419749  0.32976340  0.75000000  1.0
  Ca  Ca2  1  0.67217453  0.99558237  0.25000000  1.0
  Er  Er3  1  0.32924945  0.00283559  0.75000000  1.0
  Al  Al4  1  0.13364512  0.13334338  0.25000000  1.0
  Al  Al5  1  0.87146740  0.86841148  0.75000000  1.0
  Al  Al6  1  0.00227710  0.33507427  0.07470492  1.0
  Al  Al7  1  0.99877089  0.66520893  0.92281788  1.0
  Al  Al8  1  0.99877089  0.66520893  0.57718212  1.0
  Al  Al9  1  0.33497468  0.00159873  0.42489581  1.0
  Al  Al10  1  0.00227710  0.33507427  0.42529508  1.0
  Al  Al11  1  0.66483859  0.99900226  0.57704210  1.0
  Al  Al12  1  0.66483859  0.99900226  0.92295790  1.0
  Al  Al13  1  0.33497468  0.00159873  0.07510419  1.0
  Al  Al14  1  0.33329388  0.33229447  0.55609407  1.0
  Al  Al15  1  0.66504653  0.66523163  0.44952214  1.0
  Al  Al16  1  0.66504653  0.66523163  0.05047786  1.0
  Al  Al17  1  0.33329388  0.33229447  0.94390593  1.0
  Al  Al18  1  0.34183929  0.54679870  0.25000000  1.0
  Al  Al19  1  0.65465080  0.45174501  0.75000000  1.0
  Al  Al20  1  0.54443451  0.34181751  0.25000000  1.0
  Al  Al21  1  0.45611627  0.66373766  0.75000000  1.0
  Pd  Pd22  1  0.67094466  0.32725148  0.99888607  1.0
  Pd  Pd23  1  0.32784032  0.67220742  0.99854821  1.0
  Pd  Pd24  1  0.32784032  0.67220742  0.50145179  1.0
  Pd  Pd25  1  0.67094466  0.32725148  0.50111393  1.0
  Pd  Pd26  1  0.00112196  0.00019058  0.99872387  1.0
  Pd  Pd27  1  0.00112196  0.00019058  0.50127613  1.0