# generated using pymatgen
data_Nd2Si5PPd21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63345993
_cell_length_b   8.63345875
_cell_length_c   8.62342131
_cell_angle_alpha   60.03845921
_cell_angle_beta   60.03846372
_cell_angle_gamma   59.92308766
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2Si5PPd21
_chemical_formula_sum   'Nd2 Si5 P1 Pd21'
_cell_volume   454.49924317
_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
  Nd  Nd0  1  0.74943539  0.74943539  0.75056461  1.0
  Nd  Nd1  1  0.24943539  0.24943539  0.25056461  1.0
  Si  Si2  1  0.26162499  0.73652567  0.26347433  1.0
  Si  Si3  1  0.73652567  0.26162499  0.26347433  1.0
  Si  Si4  1  0.26216986  0.26216986  0.73783014  1.0
  Si  Si5  1  0.73652567  0.26162499  0.73837501  1.0
  Si  Si6  1  0.26162499  0.73652567  0.73837501  1.0
  P  P7  1  0.73567200  0.73567200  0.26432800  1.0
  Pd  Pd8  1  0.00316745  0.00316745  0.99683255  1.0
  Pd  Pd9  1  0.61399237  0.61399237  0.15838602  1.0
  Pd  Pd10  1  0.61436963  0.15616701  0.61473268  1.0
  Pd  Pd11  1  0.15616701  0.61436963  0.61473268  1.0
  Pd  Pd12  1  0.61399237  0.61399237  0.61363123  1.0
  Pd  Pd13  1  0.38526732  0.38526732  0.84383299  1.0
  Pd  Pd14  1  0.38636877  0.84161398  0.38600763  1.0
  Pd  Pd15  1  0.84161398  0.38636877  0.38600763  1.0
  Pd  Pd16  1  0.38526732  0.38526732  0.38563037  1.0
  Pd  Pd17  1  0.00153148  0.00153148  0.34409432  1.0
  Pd  Pd18  1  0.65660574  0.99773517  0.34339426  1.0
  Pd  Pd19  1  0.99773517  0.65660574  0.34339426  1.0
  Pd  Pd20  1  0.65590568  0.34715728  0.99846852  1.0
  Pd  Pd21  1  0.99957518  0.34641087  0.00042482  1.0
  Pd  Pd22  1  0.99957518  0.34641087  0.65358913  1.0
  Pd  Pd23  1  0.34715728  0.65590568  0.99846852  1.0
  Pd  Pd24  1  0.34641087  0.99957518  0.65358913  1.0
  Pd  Pd25  1  0.34641087  0.99957518  0.00042482  1.0
  Pd  Pd26  1  0.00153148  0.00153148  0.65284272  1.0
  Pd  Pd27  1  0.99773517  0.65660574  0.00226483  1.0
  Pd  Pd28  1  0.65660574  0.99773517  0.00226483  1.0