# generated using pymatgen
data_Ca5(AsPd)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24448515
_cell_length_b   8.30214293
_cell_length_c   19.91714071
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5(AsPd)6
_chemical_formula_sum   'Ca10 As12 Pd12'
_cell_volume   701.84662477
_cell_formula_units_Z   2
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  0.50000000  0.99327312  0.68135929  1.0
  Ca  Ca1  1  0.00000000  0.00236606  0.12774107  1.0
  Ca  Ca2  1  0.50000000  0.49327312  0.31864071  1.0
  Ca  Ca3  1  0.50000000  0.50672688  0.68135929  1.0
  Ca  Ca4  1  0.00000000  0.99763394  0.87225893  1.0
  Ca  Ca5  1  0.50000000  0.00672688  0.31864071  1.0
  Ca  Ca6  1  0.00000000  0.00000000  0.50000000  1.0
  Ca  Ca7  1  0.00000000  0.49763394  0.12774107  1.0
  Ca  Ca8  1  0.00000000  0.50236606  0.87225893  1.0
  Ca  Ca9  1  0.00000000  0.50000000  0.50000000  1.0
  As  As10  1  0.50000000  0.75000000  0.55902779  1.0
  As  As11  1  0.00000000  0.75000000  0.25303497  1.0
  As  As12  1  0.00000000  0.25000000  0.74696503  1.0
  As  As13  1  0.50000000  0.75000000  0.07566854  1.0
  As  As14  1  0.00000000  0.25000000  0.25431692  1.0
  As  As15  1  0.50000000  0.25000000  0.92433146  1.0
  As  As16  1  0.50000000  0.25000000  0.07338890  1.0
  As  As17  1  0.50000000  0.75000000  0.92661110  1.0
  As  As18  1  0.00000000  0.75000000  0.74568308  1.0
  As  As19  1  0.00000000  0.75000000  0.37709963  1.0
  As  As20  1  0.00000000  0.25000000  0.62290037  1.0
  As  As21  1  0.50000000  0.25000000  0.44097221  1.0
  Pd  Pd22  1  0.00000000  0.75000000  0.62214515  1.0
  Pd  Pd23  1  0.50000000  0.25000000  0.19458901  1.0
  Pd  Pd24  1  0.50000000  0.25000000  0.56522553  1.0
  Pd  Pd25  1  0.00000000  0.25000000  0.37785485  1.0
  Pd  Pd26  1  0.50000000  0.25000000  0.80223278  1.0
  Pd  Pd27  1  0.00000000  0.25000000  0.99875305  1.0
  Pd  Pd28  1  0.50000000  0.75000000  0.80541099  1.0
  Pd  Pd29  1  0.50000000  0.75000000  0.19776722  1.0
  Pd  Pd30  1  0.00000000  0.75000000  0.00124695  1.0
  Pd  Pd31  1  0.50000000  0.00000000  0.00000000  1.0
  Pd  Pd32  1  0.50000000  0.50000000  0.00000000  1.0
  Pd  Pd33  1  0.50000000  0.75000000  0.43477447  1.0