# generated using pymatgen
data_Ca2Al3SiPd6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78285065
_cell_length_b   6.78903322
_cell_length_c   6.78285088
_cell_angle_alpha   129.53729079
_cell_angle_beta   114.16114876
_cell_angle_gamma   87.33921203
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Al3SiPd6
_chemical_formula_sum   'Ca2 Al3 Si1 Pd6'
_cell_volume   209.35676670
_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  0.00117656  0.96627675  0.96510019  1.0
  Ca  Ca1  1  0.49787998  0.05397364  0.55609465  1.0
  Al  Al2  1  0.34796444  0.40311310  0.05514866  1.0
  Al  Al3  1  0.81109209  0.24793447  0.43684338  1.0
  Al  Al4  1  0.65245085  0.70390849  0.05145665  1.0
  Si  Si5  1  0.18623908  0.62281848  0.43658041  1.0
  Pd  Pd6  1  0.96493392  0.50437841  0.96624174  1.0
  Pd  Pd7  1  0.53813567  0.50437841  0.53944450  1.0
  Pd  Pd8  1  0.04399038  0.99678862  0.54355873  1.0
  Pd  Pd9  1  0.78405406  0.49231950  0.27347042  1.0
  Pd  Pd10  1  0.21885108  0.49231950  0.70826543  1.0
  Pd  Pd11  1  0.45323090  0.99678862  0.95279825  1.0