# generated using pymatgen
data_HPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72875612
_cell_length_b   15.38193961
_cell_length_c   51.48150625
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00252494
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HPd3
_chemical_formula_sum   'H20 Pd60'
_cell_volume   2160.86218266
_cell_formula_units_Z   20
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
  H  H1  1  0.642522  0.295158  0.312270  1
  H  H2  1  0.154050  0.972257  0.307821  1
  H  H3  1  0.766440  0.701627  0.283393  1
  H  H4  1  0.747892  0.494492  0.273948  1
  H  H5  1  0.289579  0.183997  0.408717  1
  H  H6  1  0.402001  0.837537  0.393492  1
  H  H7  1  0.785788  0.451202  0.420765  1
  H  H8  1  0.882683  0.134787  0.302860  1
  H  H9  1  0.234479  1.000688  0.513079  1
  H  H10  1  0.243796  0.648363  0.484168  1
  H  H11  1  0.751618  0.289445  0.490721  1
  H  H12  1  0.762370  0.937094  0.461843  1
  H  H13  1  0.113055  0.803124  0.672031  1
  H  H14  1  0.209373  0.486628  0.554105  1
  H  H15  1  0.593270  0.100338  0.581420  1
  H  H16  1  0.707181  0.753932  0.566205  1
  H  H17  1  0.247139  0.443426  0.700933  1
  H  H18  1  0.229236  0.236276  0.691511  1
  H  H19  1  0.841434  0.965645  0.667108  1
  H  H20  1  0.352290  0.642739  0.662590  1
  Pd  Pd21  1  0.251271  0.324855  0.346861  1
  Pd  Pd22  1  0.646587  0.898448  0.306397  1
  Pd  Pd23  1  0.761838  0.603778  0.268860  1
  Pd  Pd24  1  0.377847  0.067832  0.294375  1
  Pd  Pd25  1  0.746241  0.410147  0.308025  1
  Pd  Pd26  1  0.371292  0.832074  0.357019  1
  Pd  Pd27  1  0.804419  0.723066  0.322385  1
  Pd  Pd28  1  0.247798  0.445717  0.264248  1
  Pd  Pd29  1  0.264574  0.567387  0.313711  1
  Pd  Pd30  1  0.103708  1.000694  0.342992  1
  Pd  Pd31  1  0.266538  0.759789  0.277815  1
  Pd  Pd32  1  0.162837  0.249038  0.295545  1
  Pd  Pd33  1  0.797259  0.152021  0.433259  1
  Pd  Pd34  1  0.939307  0.746998  0.398596  1
  Pd  Pd35  1  0.781184  0.486571  0.355786  1
  Pd  Pd36  1  0.858630  0.928272  0.394585  1
  Pd  Pd37  1  0.794290  0.248356  0.389452  1
  Pd  Pd38  1  0.185163  0.674015  0.449062  1
  Pd  Pd39  1  0.789895  0.571379  0.404468  1
  Pd  Pd40  1  0.666906  0.163864  0.338036  1
  Pd  Pd41  1  0.277490  0.408812  0.396609  1
  Pd  Pd42  1  0.680745  0.835387  0.440945  1
  Pd  Pd43  1  0.329164  0.642458  0.362216  1
  Pd  Pd44  1  0.336079  0.090547  0.387955  1
  Pd  Pd45  1  0.722796  0.941437  0.533691  1
  Pd  Pd46  1  0.774756  0.559531  0.487055  1
  Pd  Pd47  1  0.737841  0.328307  0.440094  1
  Pd  Pd48  1  0.703778  0.729649  0.495419  1
  Pd  Pd49  1  0.778343  0.049530  0.488453  1
  Pd  Pd50  1  0.709539  0.446553  0.530707  1
  Pd  Pd51  1  0.220164  0.378230  0.487827  1
  Pd  Pd52  1  0.273959  0.996306  0.441212  1
  Pd  Pd53  1  0.292694  0.208105  0.479470  1
  Pd  Pd54  1  0.256480  0.609455  0.534787  1
  Pd  Pd55  1  0.285379  0.491203  0.444178  1
  Pd  Pd56  1  0.218185  0.888229  0.486440  1
  Pd  Pd57  1  0.328851  0.774067  0.636864  1
  Pd  Pd58  1  0.205170  0.366449  0.570426  1
  Pd  Pd59  1  0.315717  0.102349  0.533956  1
  Pd  Pd60  1  0.717735  0.529040  0.578269  1
  Pd  Pd61  1  0.659506  0.847331  0.586954  1
  Pd  Pd62  1  0.665994  0.295403  0.612685  1
  Pd  Pd63  1  0.055834  0.190834  0.576291  1
  Pd  Pd64  1  0.199670  0.785743  0.541631  1
  Pd  Pd65  1  0.136858  1.009594  0.580329  1
  Pd  Pd66  1  0.214027  0.451304  0.619096  1
  Pd  Pd67  1  0.810836  0.263732  0.525823  1
  Pd  Pd68  1  0.201224  0.689509  0.585441  1
  Pd  Pd69  1  0.747269  0.492213  0.710633  1
  Pd  Pd70  1  0.190969  0.214806  0.652527  1
  Pd  Pd71  1  0.891606  0.937239  0.631929  1
  Pd  Pd72  1  0.730735  0.370489  0.661180  1
  Pd  Pd73  1  0.832167  0.688814  0.679335  1
  Pd  Pd74  1  0.729054  0.178127  0.697103  1
  Pd  Pd75  1  0.348925  0.039449  0.668527  1
  Pd  Pd76  1  0.744093  0.613047  0.628021  1
  Pd  Pd77  1  0.617775  0.870035  0.680536  1
  Pd  Pd78  1  0.233456  0.334147  0.706036  1
  Pd  Pd79  1  0.624002  0.105837  0.617888  1
  Pd  Pd80  1  0.248983  0.527722  0.666851  1
