# generated using pymatgen
data_Ca3(SiPd)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64540400
_cell_length_b   8.06909262
_cell_length_c   13.28948558
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3(SiPd)2
_chemical_formula_sum   'Ca12 Si8 Pd8'
_cell_volume   605.37976100
_cell_formula_units_Z   4
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  0.13249534  0.61448387  0.10535802  1.0
  Ca  Ca1  1  0.13249534  0.88551613  0.89464198  1.0
  Ca  Ca2  1  0.86750466  0.11448387  0.39464198  1.0
  Ca  Ca3  1  0.86750466  0.38551613  0.60535802  1.0
  Ca  Ca4  1  0.86750466  0.38551613  0.89464198  1.0
  Ca  Ca5  1  0.86750466  0.11448387  0.10535802  1.0
  Ca  Ca6  1  0.13249534  0.88551613  0.60535802  1.0
  Ca  Ca7  1  0.13249534  0.61448387  0.39464198  1.0
  Ca  Ca8  1  0.35103815  0.25825310  0.25000000  1.0
  Ca  Ca9  1  0.35103815  0.24174690  0.75000000  1.0
  Ca  Ca10  1  0.64896185  0.75825310  0.25000000  1.0
  Ca  Ca11  1  0.64896185  0.74174690  0.75000000  1.0
  Si  Si12  1  0.39015290  0.25000000  0.00000000  1.0
  Si  Si13  1  0.60984710  0.75000000  0.50000000  1.0
  Si  Si14  1  0.60984710  0.75000000  0.00000000  1.0
  Si  Si15  1  0.39015290  0.25000000  0.50000000  1.0
  Si  Si16  1  0.83238681  0.40850042  0.25000000  1.0
  Si  Si17  1  0.83238681  0.09149958  0.75000000  1.0
  Si  Si18  1  0.16761319  0.90850042  0.25000000  1.0
  Si  Si19  1  0.16761319  0.59149958  0.75000000  1.0
  Pd  Pd20  1  0.62559745  0.47311720  0.08788991  1.0
  Pd  Pd21  1  0.62559745  0.02688280  0.91211009  1.0
  Pd  Pd22  1  0.37440255  0.97311720  0.41211009  1.0
  Pd  Pd23  1  0.37440255  0.52688280  0.58788991  1.0
  Pd  Pd24  1  0.37440255  0.52688280  0.91211009  1.0
  Pd  Pd25  1  0.37440255  0.97311720  0.08788991  1.0
  Pd  Pd26  1  0.62559745  0.02688280  0.58788991  1.0
  Pd  Pd27  1  0.62559745  0.47311720  0.41211009  1.0