# generated using pymatgen
data_Ca2Si2As4Pd21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.73517751
_cell_length_b   8.73517756
_cell_length_c   8.68969432
_cell_angle_alpha   60.17208669
_cell_angle_beta   60.17208651
_cell_angle_gamma   59.52486742
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Si2As4Pd21
_chemical_formula_sum   'Ca2 Si2 As4 Pd21'
_cell_volume   468.34509398
_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  0.75007954  0.75007954  0.74877409  1.0
  Ca  Ca1  1  0.24992046  0.24992046  0.24893416  1.0
  Si  Si2  1  0.73622803  0.26377197  0.73704535  1.0
  Si  Si3  1  0.26377197  0.73622803  0.73704535  1.0
  As  As4  1  0.73699192  0.73699192  0.26331930  1.0
  As  As5  1  0.26266931  0.73733069  0.26325990  1.0
  As  As6  1  0.73733069  0.26266931  0.26325990  1.0
  As  As7  1  0.26300808  0.26300808  0.73730214  1.0
  Pd  Pd8  1  0.00000000  0.00000000  0.99813783  1.0
  Pd  Pd9  1  0.61572961  0.61572961  0.15414988  1.0
  Pd  Pd10  1  0.61823429  0.15499675  0.61895565  1.0
  Pd  Pd11  1  0.15499675  0.61823429  0.61895565  1.0
  Pd  Pd12  1  0.61222203  0.61222203  0.62084342  1.0
  Pd  Pd13  1  0.38777797  0.38777797  0.84528747  1.0
  Pd  Pd14  1  0.38176571  0.84500325  0.39218569  1.0
  Pd  Pd15  1  0.84500325  0.38176571  0.39218569  1.0
  Pd  Pd16  1  0.38427039  0.38427039  0.38560909  1.0
  Pd  Pd17  1  1.00000000  1.00000000  0.35010398  1.0
  Pd  Pd18  1  0.64953089  0.00321875  0.34542821  1.0
  Pd  Pd19  1  0.00321875  0.64953089  0.34542821  1.0
  Pd  Pd20  1  0.65403984  0.34596016  0.99490050  1.0
  Pd  Pd21  1  0.99678125  0.35046911  0.99817785  1.0
  Pd  Pd22  1  0.99545515  0.34302749  0.65343727  1.0
  Pd  Pd23  1  0.34596016  0.65403984  0.99490050  1.0
  Pd  Pd24  1  0.34302749  0.99545515  0.65343727  1.0
  Pd  Pd25  1  0.35046911  0.99678125  0.99817785  1.0
  Pd  Pd26  1  0.00000000  0.00000000  0.65691702  1.0
  Pd  Pd27  1  0.00454485  0.65697251  0.99191990  1.0
  Pd  Pd28  1  0.65697251  0.00454485  0.99191990  1.0