# generated using pymatgen
data_Pr2SiP5Pd21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.62392466
_cell_length_b   8.61969406
_cell_length_c   8.61969461
_cell_angle_alpha   60.03246724
_cell_angle_beta   59.98376078
_cell_angle_gamma   59.98375406
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr2SiP5Pd21
_chemical_formula_sum   'Pr2 Si1 P5 Pd21'
_cell_volume   453.07846287
_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
  Pr  Pr0  1  0.74966806  0.75033194  0.75033194  1.0
  Pr  Pr1  1  0.24966806  0.25033194  0.25033194  1.0
  Si  Si2  1  0.25725176  0.74274824  0.74274824  1.0
  P  P3  1  0.73820294  0.74083282  0.26179706  1.0
  P  P4  1  0.25916718  0.74083282  0.26179706  1.0
  P  P5  1  0.73915853  0.26084147  0.26084147  1.0
  P  P6  1  0.25916718  0.26179706  0.74083282  1.0
  P  P7  1  0.73820294  0.26179706  0.74083282  1.0
  Pd  Pd8  1  0.00502526  0.99497474  0.99497474  1.0
  Pd  Pd9  1  0.61276213  0.61325944  0.16121731  1.0
  Pd  Pd10  1  0.61276213  0.16121731  0.61325944  1.0
  Pd  Pd11  1  0.15916303  0.61360860  0.61360860  1.0
  Pd  Pd12  1  0.61361977  0.61360860  0.61360860  1.0
  Pd  Pd13  1  0.38639140  0.38638023  0.84083697  1.0
  Pd  Pd14  1  0.38639140  0.84083697  0.38638023  1.0
  Pd  Pd15  1  0.83878269  0.38723787  0.38723787  1.0
  Pd  Pd16  1  0.38674056  0.38723787  0.38723787  1.0
  Pd  Pd17  1  0.99980606  0.00019394  0.34329036  1.0
  Pd  Pd18  1  0.65670964  0.00019394  0.34329036  1.0
  Pd  Pd19  1  0.00165502  0.65432315  0.34236680  1.0
  Pd  Pd20  1  0.65670964  0.34329036  0.00019394  1.0
  Pd  Pd21  1  0.99980606  0.34329036  0.00019394  1.0
  Pd  Pd22  1  0.00165502  0.34236680  0.65432315  1.0
  Pd  Pd23  1  0.34733796  0.65266204  0.00322722  1.0
  Pd  Pd24  1  0.34733796  0.00322722  0.65266204  1.0
  Pd  Pd25  1  0.34567685  0.99834498  0.99834498  1.0
  Pd  Pd26  1  0.99677278  0.00322722  0.65266204  1.0
  Pd  Pd27  1  0.99677278  0.65266204  0.00322722  1.0
  Pd  Pd28  1  0.65763320  0.99834498  0.99834498  1.0