# generated using pymatgen
data_HPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.60404353
_cell_length_b   7.46241382
_cell_length_c   52.06833310
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.98080281
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HPd3
_chemical_formula_sum   'H20 Pd60'
_cell_volume   2137.61426621
_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  0.974739  0.898979  0.253792  1
  H  H2  1  0.306870  0.232779  0.254183  1
  H  H3  1  0.642145  0.562040  0.253921  1
  H  H4  1  0.473754  0.899050  0.253888  1
  H  H5  1  0.854554  0.449260  0.311944  1
  H  H6  1  0.197408  0.800589  0.312654  1
  H  H7  1  0.797433  0.226710  0.359411  1
  H  H8  1  0.142573  0.580710  0.360506  1
  H  H9  1  0.739013  1.003816  0.405257  1
  H  H10  1  0.085808  0.356763  0.406385  1
  H  H11  1  0.681273  0.781308  0.450981  1
  H  H12  1  0.028384  0.134372  0.452163  1
  H  H13  1  0.623868  0.558577  0.496655  1
  H  H14  1  0.970735  0.911666  0.497860  1
  H  H15  1  0.567163  0.333714  0.542358  1
  H  H16  1  0.912309  0.687134  0.543597  1
  H  H17  1  0.512894  0.113748  0.591137  1
  H  H18  1  0.854658  0.464470  0.591960  1
  H  H19  1  0.462628  0.901952  0.645489  1
  H  H20  1  0.797196  0.241315  0.645792  1
  Pd  Pd21  1  0.695486  0.784881  0.245530  1
  Pd  Pd22  1  0.861263  0.451619  0.249838  1
  Pd  Pd23  1  0.195268  0.785797  0.247412  1
  Pd  Pd24  1  0.528424  0.120954  0.247518  1
  Pd  Pd25  1  0.363511  0.452548  0.247427  1
  Pd  Pd26  1  0.029489  0.120413  0.247537  1
  Pd  Pd27  1  0.637878  0.565701  0.292373  1
  Pd  Pd28  1  0.806205  0.232779  0.293578  1
  Pd  Pd29  1  0.138751  0.566701  0.293637  1
  Pd  Pd30  1  0.472441  0.899309  0.292056  1
  Pd  Pd31  1  0.305903  0.233085  0.291728  1
  Pd  Pd32  1  0.972016  0.899153  0.291930  1
  Pd  Pd33  1  0.584602  0.343843  0.337654  1
  Pd  Pd34  1  0.749275  1.012962  0.338409  1
  Pd  Pd35  1  0.081607  0.344789  0.338223  1
  Pd  Pd36  1  0.412823  0.680902  0.338285  1
  Pd  Pd37  1  0.248188  1.008587  0.336727  1
  Pd  Pd38  1  0.915913  0.678638  0.337665  1
  Pd  Pd39  1  0.526909  0.121962  0.382903  1
  Pd  Pd40  1  0.691817  0.792447  0.383945  1
  Pd  Pd41  1  0.023978  0.123523  0.383417  1
  Pd  Pd42  1  0.355163  0.458676  0.383591  1
  Pd  Pd43  1  0.190459  0.788368  0.382717  1
  Pd  Pd44  1  0.858705  0.456895  0.383129  1
  Pd  Pd45  1  0.469588  0.900513  0.428586  1
  Pd  Pd46  1  0.634093  0.570970  0.429449  1
  Pd  Pd47  1  0.966192  0.902199  0.429052  1
  Pd  Pd48  1  0.297528  0.236657  0.429034  1
  Pd  Pd49  1  0.133103  0.566308  0.428309  1
  Pd  Pd50  1  0.801002  0.234857  0.428563  1
  Pd  Pd51  1  0.412216  0.678775  0.474243  1
  Pd  Pd52  1  0.576526  0.349240  0.474878  1
  Pd  Pd53  1  0.908716  0.680498  0.474626  1
  Pd  Pd54  1  0.239943  1.014876  0.474616  1
  Pd  Pd55  1  0.075621  0.344317  0.473830  1
  Pd  Pd56  1  0.743626  1.013130  0.474205  1
  Pd  Pd57  1  0.354999  0.456729  0.519783  1
  Pd  Pd58  1  0.519061  0.127311  0.520293  1
  Pd  Pd59  1  0.851286  0.458375  0.520034  1
  Pd  Pd60  1  0.182531  0.793351  0.520257  1
  Pd  Pd61  1  0.018229  0.122392  0.519467  1
  Pd  Pd62  1  0.686494  0.791342  0.519915  1
  Pd  Pd63  1  0.297929  0.234912  0.565175  1
  Pd  Pd64  1  0.462573  0.906784  0.565840  1
  Pd  Pd65  1  0.794132  0.236073  0.565309  1
  Pd  Pd66  1  0.125924  0.572108  0.565485  1
  Pd  Pd67  1  0.961358  0.901281  0.565290  1
  Pd  Pd68  1  0.629669  0.569416  0.565323  1
  Pd  Pd69  1  0.241713  1.014708  0.610410  1
  Pd  Pd70  1  0.407013  0.685555  0.609863  1
  Pd  Pd71  1  0.737522  1.015416  0.610606  1
  Pd  Pd72  1  0.070439  0.349926  0.609745  1
  Pd  Pd73  1  0.905677  0.680757  0.610066  1
  Pd  Pd74  1  0.573749  0.346599  0.610080  1
  Pd  Pd75  1  0.189749  0.794048  0.652616  1
  Pd  Pd76  1  0.350691  0.463594  0.651211  1
  Pd  Pd77  1  0.680146  0.794171  0.652829  1
  Pd  Pd78  1  0.014427  0.131629  0.653052  1
  Pd  Pd79  1  0.850256  0.458209  0.652671  1
  Pd  Pd80  1  0.519672  0.125210  0.654355  1
