# generated using pymatgen
data_Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43278056
_cell_length_b   12.06316345
_cell_length_c   48.71476937
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd
_chemical_formula_sum   Pd96
_cell_volume   3111.75810246
_cell_formula_units_Z   96
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
  Pd  Pd1  1  0.796856  0.748083  0.285234  1
  Pd  Pd2  1  0.950763  0.056045  0.298305  1
  Pd  Pd3  1  0.111684  0.377797  0.317574  1
  Pd  Pd4  1  0.111684  0.877797  0.317574  1
  Pd  Pd5  1  0.796856  0.248083  0.285234  1
  Pd  Pd6  1  0.950763  0.556045  0.298305  1
  Pd  Pd7  1  0.611684  0.877797  0.317574  1
  Pd  Pd8  1  0.296856  0.248083  0.285234  1
  Pd  Pd9  1  0.450763  0.556045  0.298305  1
  Pd  Pd10  1  0.296856  0.748083  0.285234  1
  Pd  Pd11  1  0.450763  0.056045  0.298305  1
  Pd  Pd12  1  0.611684  0.377797  0.317574  1
  Pd  Pd13  1  0.266669  0.687995  0.335717  1
  Pd  Pd14  1  0.425916  1.006309  0.353798  1
  Pd  Pd15  1  0.582919  0.320590  0.372066  1
  Pd  Pd16  1  0.582919  0.820590  0.372066  1
  Pd  Pd17  1  0.266669  0.187995  0.335717  1
  Pd  Pd18  1  0.425916  0.506309  0.353798  1
  Pd  Pd19  1  0.082919  0.820590  0.372066  1
  Pd  Pd20  1  0.766669  0.187995  0.335717  1
  Pd  Pd21  1  0.925916  0.506309  0.353798  1
  Pd  Pd22  1  0.766669  0.687995  0.335717  1
  Pd  Pd23  1  0.925916  1.006309  0.353798  1
  Pd  Pd24  1  0.082919  0.320590  0.372066  1
  Pd  Pd25  1  0.740493  0.635800  0.391450  1
  Pd  Pd26  1  0.897612  0.950192  0.409757  1
  Pd  Pd27  1  0.055491  0.266030  0.428640  1
  Pd  Pd28  1  0.055491  0.766030  0.428640  1
  Pd  Pd29  1  0.740493  0.135800  0.391450  1
  Pd  Pd30  1  0.897612  0.450192  0.409757  1
  Pd  Pd31  1  0.555491  0.766030  0.428640  1
  Pd  Pd32  1  0.240493  0.135800  0.391450  1
  Pd  Pd33  1  0.397612  0.450192  0.409757  1
  Pd  Pd34  1  0.240493  0.635800  0.391450  1
  Pd  Pd35  1  0.397612  0.950192  0.409757  1
  Pd  Pd36  1  0.555491  0.266030  0.428640  1
  Pd  Pd37  1  0.212744  0.580675  0.447258  1
  Pd  Pd38  1  0.370463  0.896205  0.465990  1
  Pd  Pd39  1  0.527874  0.211157  0.484585  1
  Pd  Pd40  1  0.527874  0.711157  0.484585  1
  Pd  Pd41  1  0.212744  0.080675  0.447258  1
  Pd  Pd42  1  0.370463  0.396205  0.465990  1
  Pd  Pd43  1  0.027874  0.711157  0.484585  1
  Pd  Pd44  1  0.712744  0.080675  0.447258  1
  Pd  Pd45  1  0.870463  0.396205  0.465990  1
  Pd  Pd46  1  0.712744  0.580675  0.447258  1
  Pd  Pd47  1  0.870463  0.896205  0.465990  1
  Pd  Pd48  1  0.027874  0.211157  0.484585  1
  Pd  Pd49  1  0.685511  0.526531  0.503357  1
  Pd  Pd50  1  0.842923  0.841483  0.521952  1
  Pd  Pd51  1  1.000642  0.157013  0.540684  1
  Pd  Pd52  1  1.000642  0.657013  0.540684  1
  Pd  Pd53  1  0.685511  0.026531  0.503357  1
  Pd  Pd54  1  0.842923  0.341483  0.521952  1
  Pd  Pd55  1  0.500642  0.657013  0.540684  1
  Pd  Pd56  1  0.185511  0.026531  0.503357  1
  Pd  Pd57  1  0.342923  0.341483  0.521952  1
  Pd  Pd58  1  0.185511  0.526531  0.503357  1
  Pd  Pd59  1  0.342923  0.841483  0.521952  1
  Pd  Pd60  1  0.500642  0.157013  0.540684  1
  Pd  Pd61  1  0.157895  0.471658  0.559303  1
  Pd  Pd62  1  0.315774  0.787496  0.578185  1
  Pd  Pd63  1  0.472892  0.101888  0.596492  1
  Pd  Pd64  1  0.472892  0.601888  0.596492  1
  Pd  Pd65  1  0.157895  0.971658  0.559303  1
  Pd  Pd66  1  0.315774  0.287496  0.578185  1
  Pd  Pd67  1  0.972892  0.601888  0.596492  1
  Pd  Pd68  1  0.657895  0.971658  0.559303  1
  Pd  Pd69  1  0.815774  0.287496  0.578185  1
  Pd  Pd70  1  0.657895  0.471658  0.559303  1
  Pd  Pd71  1  0.815774  0.787496  0.578185  1
  Pd  Pd72  1  0.972892  0.101888  0.596492  1
  Pd  Pd73  1  0.630466  0.417098  0.615877  1
  Pd  Pd74  1  0.787470  0.731379  0.634144  1
  Pd  Pd75  1  0.946717  0.049693  0.652225  1
  Pd  Pd76  1  0.946717  0.549693  0.652225  1
  Pd  Pd77  1  0.630466  0.917098  0.615877  1
  Pd  Pd78  1  0.787470  0.231379  0.634144  1
  Pd  Pd79  1  0.446717  0.549693  0.652225  1
  Pd  Pd80  1  0.130466  0.917098  0.615877  1
  Pd  Pd81  1  0.287470  0.231379  0.634144  1
  Pd  Pd82  1  0.130466  0.417098  0.615877  1
  Pd  Pd83  1  0.287470  0.731379  0.634144  1
  Pd  Pd84  1  0.446717  0.049693  0.652225  1
  Pd  Pd85  1  0.101702  0.359891  0.670368  1
  Pd  Pd86  1  0.262622  0.681643  0.689637  1
  Pd  Pd87  1  0.416530  0.989605  0.702709  1
  Pd  Pd88  1  0.416530  0.489605  0.702709  1
  Pd  Pd89  1  0.101702  0.859891  0.670368  1
  Pd  Pd90  1  0.262622  0.181643  0.689637  1
  Pd  Pd91  1  0.916530  0.489605  0.702709  1
  Pd  Pd92  1  0.601702  0.859891  0.670368  1
  Pd  Pd93  1  0.762622  0.181643  0.689637  1
  Pd  Pd94  1  0.601702  0.359891  0.670368  1
  Pd  Pd95  1  0.762622  0.681643  0.689637  1
  Pd  Pd96  1  0.916530  0.989605  0.702709  1
