# generated using pymatgen
data_HPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39323109
_cell_length_b   6.21416821
_cell_length_c   54.09413105
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.00270647
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HPd3
_chemical_formula_sum   'H20 Pd60'
_cell_volume   2147.77210873
_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  0.696232  0.705977  0.247911  1
  H  H2  1  0.360568  0.375089  0.248443  1
  H  H3  1  0.692065  0.694486  0.310971  1
  H  H4  1  0.029954  1.038871  0.247907  1
  H  H5  1  0.471125  0.572560  0.357518  1
  H  H6  1  0.032024  1.041065  0.311651  1
  H  H7  1  0.253566  0.447675  0.403003  1
  H  H8  1  0.810966  0.920857  0.358699  1
  H  H9  1  0.037401  0.322773  0.448544  1
  H  H10  1  0.593372  0.795815  0.404338  1
  H  H11  1  0.821139  0.197783  0.494171  1
  H  H12  1  0.377111  0.670824  0.449964  1
  H  H13  1  0.603546  1.072740  0.539810  1
  H  H14  1  0.160946  0.545922  0.495506  1
  H  H15  1  0.382488  0.952532  0.586858  1
  H  H16  1  0.943387  0.421037  0.540991  1
  H  H17  1  0.384557  0.954726  0.650602  1
  H  H18  1  0.722446  0.299111  0.587538  1
  H  H19  1  0.053943  0.618508  0.650065  1
  H  H20  1  0.718279  0.287620  0.650598  1
  Pd  Pd21  1  0.819936  0.918187  0.237399  1
  Pd  Pd22  1  0.875139  0.519642  0.256385  1
  Pd  Pd23  1  0.207832  0.852045  0.256457  1
  Pd  Pd24  1  0.540232  0.186807  0.256702  1
  Pd  Pd25  1  0.487188  0.583232  0.237461  1
  Pd  Pd26  1  0.154624  0.250498  0.237476  1
  Pd  Pd27  1  0.600788  0.795935  0.280132  1
  Pd  Pd28  1  0.658708  0.403115  0.300958  1
  Pd  Pd29  1  -0.009185  0.733802  0.301121  1
  Pd  Pd30  1  0.320412  1.066026  0.301162  1
  Pd  Pd31  1  0.269014  0.461564  0.280094  1
  Pd  Pd32  1  0.936061  0.129971  0.280154  1
  Pd  Pd33  1  0.387242  0.673410  0.324422  1
  Pd  Pd34  1  0.442713  0.281187  0.346478  1
  Pd  Pd35  1  0.775131  0.610440  0.346415  1
  Pd  Pd36  1  0.105758  0.944542  0.346274  1
  Pd  Pd37  1  0.051067  0.336517  0.324109  1
  Pd  Pd38  1  0.718892  1.007245  0.324239  1
  Pd  Pd39  1  0.172308  0.548566  0.369694  1
  Pd  Pd40  1  0.227359  0.157118  0.392183  1
  Pd  Pd41  1  0.559326  0.485848  0.392093  1
  Pd  Pd42  1  0.890308  0.819838  0.391988  1
  Pd  Pd43  1  0.835154  0.211203  0.369494  1
  Pd  Pd44  1  0.503246  0.882476  0.369631  1
  Pd  Pd45  1  0.956351  0.423480  0.415263  1
  Pd  Pd46  1  0.011488  1.032372  0.437839  1
  Pd  Pd47  1  0.343379  0.361150  0.437734  1
  Pd  Pd48  1  0.674230  0.694980  0.437635  1
  Pd  Pd49  1  0.619123  1.086119  0.415076  1
  Pd  Pd50  1  0.287175  0.757293  0.415171  1
  Pd  Pd51  1  0.740281  0.298617  0.460873  1
  Pd  Pd52  1  0.795389  0.907478  0.483433  1
  Pd  Pd53  1  0.127337  0.236304  0.483338  1
  Pd  Pd54  1  0.458161  0.570117  0.483246  1
  Pd  Pd55  1  0.403024  0.961225  0.460670  1
  Pd  Pd56  1  0.071133  0.632447  0.460775  1
  Pd  Pd57  1  0.524204  0.173759  0.506521  1
  Pd  Pd58  1  0.579357  0.782394  0.529015  1
  Pd  Pd59  1  0.911266  0.111121  0.528878  1
  Pd  Pd60  1  0.242204  0.445031  0.528815  1
  Pd  Pd61  1  0.187153  0.836479  0.506326  1
  Pd  Pd62  1  0.855185  0.507749  0.506415  1
  Pd  Pd63  1  0.308754  1.049055  0.552234  1
  Pd  Pd64  1  0.363444  0.657080  0.574400  1
  Pd  Pd65  1  0.695620  0.986352  0.574270  1
  Pd  Pd66  1  0.027269  0.320187  0.574087  1
  Pd  Pd67  1  0.971799  0.712410  0.552031  1
  Pd  Pd68  1  0.639381  0.383157  0.552093  1
  Pd  Pd69  1  0.094100  0.927571  0.597347  1
  Pd  Pd70  1  0.145498  0.532033  0.618415  1
  Pd  Pd71  1  0.478451  0.863626  0.618355  1
  Pd  Pd72  1  0.813724  0.197662  0.618377  1
  Pd  Pd73  1  0.755804  0.590482  0.597550  1
  Pd  Pd74  1  0.423697  0.259795  0.597387  1
  Pd  Pd75  1  0.874280  0.806790  0.641807  1
  Pd  Pd76  1  0.927324  0.410365  0.661048  1
  Pd  Pd77  1  0.259887  0.743099  0.661032  1
  Pd  Pd78  1  0.594576  1.075410  0.661110  1
  Pd  Pd79  1  0.539372  0.473955  0.642123  1
  Pd  Pd80  1  0.206679  0.141552  0.642051  1
