# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.24803477
_cell_length_b   9.93916425
_cell_length_c   46.48540746
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H180
_cell_volume   3810.80734079
_cell_formula_units_Z   90
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  0.117294  0.198140  0.304006  1
  H  H2  1  0.113365  0.979449  0.284293  1
  H  H3  1  0.113353  0.587127  0.293823  1
  H  H4  1  0.614296  0.337830  0.299801  1
  H  H5  1  0.615222  0.118864  0.281188  1
  H  H6  1  0.613375  0.730781  0.290343  1
  H  H7  1  0.885803  0.337830  0.299801  1
  H  H8  1  0.884877  0.118864  0.281188  1
  H  H9  1  0.886724  0.730781  0.290343  1
  H  H10  1  0.382805  0.198140  0.304006  1
  H  H11  1  0.386734  0.979449  0.284293  1
  H  H12  1  0.386745  0.587127  0.293823  1
  H  H13  1  0.118424  0.013535  0.333905  1
  H  H14  1  0.118558  0.800052  0.314697  1
  H  H15  1  0.118321  0.406944  0.324340  1
  H  H16  1  0.618498  0.149647  0.330583  1
  H  H17  1  0.618593  0.937762  0.311577  1
  H  H18  1  0.618626  0.544868  0.320829  1
  H  H19  1  0.881601  0.149647  0.330583  1
  H  H20  1  0.881506  0.937762  0.311577  1
  H  H21  1  0.881473  0.544868  0.320829  1
  H  H22  1  0.381675  0.013535  0.333905  1
  H  H23  1  0.381541  0.800052  0.314697  1
  H  H24  1  0.381778  0.406944  0.324340  1
  H  H25  1  0.118320  0.830089  0.363406  1
  H  H26  1  0.118437  0.618057  0.343960  1
  H  H27  1  0.118441  0.223792  0.353631  1
  H  H28  1  0.618404  0.964121  0.360146  1
  H  H29  1  0.618471  0.753436  0.340665  1
  H  H30  1  0.618515  0.358613  0.349961  1
  H  H31  1  0.881695  0.964121  0.360146  1
  H  H32  1  0.881628  0.753436  0.340665  1
  H  H33  1  0.881584  0.358613  0.349961  1
  H  H34  1  0.381779  0.830089  0.363406  1
  H  H35  1  0.381662  0.618057  0.343960  1
  H  H36  1  0.381658  0.223792  0.353631  1
  H  H37  1  0.118347  0.646074  0.392666  1
  H  H38  1  0.118269  0.434878  0.373259  1
  H  H39  1  0.118383  0.040565  0.382850  1
  H  H40  1  0.618376  0.778692  0.389364  1
  H  H41  1  0.618327  0.568219  0.369888  1
  H  H42  1  0.618356  0.173784  0.379478  1
  H  H43  1  0.881723  0.778692  0.389364  1
  H  H44  1  0.881772  0.568219  0.369888  1
  H  H45  1  0.881743  0.173784  0.379478  1
  H  H46  1  0.381752  0.646074  0.392666  1
  H  H47  1  0.381830  0.434878  0.373259  1
  H  H48  1  0.381716  0.040565  0.382850  1
  H  H49  1  0.118208  0.462017  0.422087  1
  H  H50  1  0.118282  0.251202  0.402492  1
  H  H51  1  0.118218  0.856712  0.412301  1
  H  H52  1  0.618248  0.594125  0.418758  1
  H  H53  1  0.618391  0.383584  0.399040  1
  H  H54  1  0.618229  0.989114  0.408996  1
  H  H55  1  0.881851  0.594125  0.418758  1
  H  H56  1  0.881708  0.383584  0.399040  1
  H  H57  1  0.881870  0.989114  0.408996  1
  H  H58  1  0.381891  0.462017  0.422087  1
  H  H59  1  0.381817  0.251202  0.402492  1
  H  H60  1  0.381881  0.856712  0.412301  1
  H  H61  1  0.118260  0.277897  0.451454  1
  H  H62  1  0.118276  0.067301  0.431851  1
  H  H63  1  0.118254  0.672601  0.441655  1
  H  H64  1  0.618290  0.409801  0.448091  1
  H  H65  1  0.618264  0.199413  0.428517  1
  H  H66  1  0.618278  0.804606  0.438351  1
  H  H67  1  0.881809  0.409801  0.448091  1
  H  H68  1  0.881835  0.199413  0.428517  1
  H  H69  1  0.881821  0.804606  0.438351  1
  H  H70  1  0.381839  0.277897  0.451454  1
  H  H71  1  0.381823  0.067301  0.431851  1
  H  H72  1  0.381844  0.672601  0.441655  1
  H  H73  1  0.118271  0.093743  0.480824  1
  H  H74  1  0.118257  0.883187  0.461252  1
  H  H75  1  0.118247  0.488436  0.471048  1
  H  H76  1  0.618267  0.225598  0.477507  1
  H  H77  1  0.618259  0.015114  0.457950  1
  H  H78  1  0.618268  0.620295  0.467732  1
  H  H79  1  0.881832  0.225598  0.477507  1
  H  H80  1  0.881840  0.015114  0.457950  1
  H  H81  1  0.881831  0.620295  0.467732  1
  H  H82  1  0.381828  0.093743  0.480824  1
  H  H83  1  0.381842  0.883187  0.461252  1
  H  H84  1  0.381852  0.488436  0.471048  1
  H  H85  1  0.118271  0.909521  0.510210  1
  H  H86  1  0.118265  0.698968  0.490619  1
  H  H87  1  0.118274  0.304262  0.500434  1
  H  H88  1  0.618265  0.041367  0.506909  1
  H  H89  1  0.618271  0.830815  0.487318  1
  H  H90  1  0.618274  0.436074  0.497093  1
  H  H91  1  0.881834  0.041367  0.506909  1
  H  H92  1  0.881828  0.830815  0.487318  1
  H  H93  1  0.881825  0.436074  0.497093  1
  H  H94  1  0.381828  0.909521  0.510210  1
  H  H95  1  0.381834  0.698968  0.490619  1
  H  H96  1  0.381825  0.304262  0.500434  1
  H  H97  1  0.118259  0.725222  0.539578  1
  H  H98  1  0.118267  0.514737  0.520021  1
  H  H99  1  0.118268  0.120041  0.529796  1
  H  H100  1  0.618257  0.857148  0.536276  1
  H  H101  1  0.618271  0.646592  0.516703  1
  H  H102  1  0.618247  0.251900  0.526480  1
  H  H103  1  0.881842  0.857148  0.536276  1
  H  H104  1  0.881828  0.646592  0.516703  1
  H  H105  1  0.881852  0.251900  0.526480  1
  H  H106  1  0.381840  0.725222  0.539578  1
  H  H107  1  0.381832  0.514737  0.520021  1
  H  H108  1  0.381831  0.120041  0.529796  1
  H  H109  1  0.118264  0.540923  0.569010  1
  H  H110  1  0.118290  0.330534  0.549437  1
  H  H111  1  0.118278  0.935730  0.559176  1
  H  H112  1  0.618276  0.673035  0.565677  1
  H  H113  1  0.618260  0.462439  0.546074  1
  H  H114  1  0.618254  0.067735  0.555873  1
  H  H115  1  0.881823  0.673035  0.565677  1
  H  H116  1  0.881839  0.462439  0.546074  1
  H  H117  1  0.881844  0.067735  0.555873  1
  H  H118  1  0.381835  0.540923  0.569010  1
  H  H119  1  0.381809  0.330534  0.549437  1
  H  H120  1  0.381821  0.935730  0.559176  1
  H  H121  1  0.118391  0.356752  0.598488  1
  H  H122  1  0.118248  0.146211  0.578770  1
  H  H123  1  0.118229  0.751222  0.588531  1
  H  H124  1  0.618282  0.489134  0.595036  1
  H  H125  1  0.618208  0.278319  0.575441  1
  H  H126  1  0.618218  0.883623  0.585226  1
  H  H127  1  0.881817  0.489134  0.595036  1
  H  H128  1  0.881891  0.278319  0.575441  1
  H  H129  1  0.881881  0.883623  0.585226  1
  H  H130  1  0.381708  0.356752  0.598488  1
  H  H131  1  0.381851  0.146211  0.578770  1
  H  H132  1  0.381870  0.751222  0.588531  1
  H  H133  1  0.118327  0.172117  0.627639  1
  H  H134  1  0.118376  0.961643  0.608164  1
  H  H135  1  0.118356  0.566552  0.618050  1
  H  H136  1  0.618269  0.305458  0.624269  1
  H  H137  1  0.618347  0.094262  0.604862  1
  H  H138  1  0.618383  0.699770  0.614678  1
  H  H139  1  0.881830  0.305458  0.624269  1
  H  H140  1  0.881752  0.094262  0.604862  1
  H  H141  1  0.881716  0.699770  0.614678  1
  H  H142  1  0.381772  0.172117  0.627639  1
  H  H143  1  0.381723  0.961643  0.608164  1
  H  H144  1  0.381743  0.566552  0.618050  1
  H  H145  1  0.118471  0.986899  0.656863  1
  H  H146  1  0.118404  0.776214  0.637382  1
  H  H147  1  0.118515  0.381722  0.647567  1
  H  H148  1  0.618437  0.122279  0.653567  1
  H  H149  1  0.618320  0.910247  0.634122  1
  H  H150  1  0.618441  0.516544  0.643896  1
  H  H151  1  0.881662  0.122279  0.653567  1
  H  H152  1  0.881779  0.910247  0.634122  1
  H  H153  1  0.881658  0.516544  0.643896  1
  H  H154  1  0.381628  0.986899  0.656863  1
  H  H155  1  0.381695  0.776214  0.637382  1
  H  H156  1  0.381584  0.381722  0.647567  1
  H  H157  1  0.118593  0.802574  0.685950  1
  H  H158  1  0.118498  0.590689  0.666945  1
  H  H159  1  0.118626  0.195468  0.676699  1
  H  H160  1  0.618558  0.940284  0.682831  1
  H  H161  1  0.618424  0.726801  0.663623  1
  H  H162  1  0.618321  0.333392  0.673188  1
  H  H163  1  0.881541  0.940284  0.682831  1
  H  H164  1  0.881675  0.726801  0.663623  1
  H  H165  1  0.881778  0.333392  0.673188  1
  H  H166  1  0.381506  0.802574  0.685950  1
  H  H167  1  0.381601  0.590689  0.666945  1
  H  H168  1  0.381473  0.195468  0.676699  1
  H  H169  1  0.115222  0.621471  0.716340  1
  H  H170  1  0.114296  0.402506  0.697727  1
  H  H171  1  0.113375  0.009555  0.707185  1
  H  H172  1  0.613365  0.760886  0.713234  1
  H  H173  1  0.617294  0.542196  0.693521  1
  H  H174  1  0.613353  0.153208  0.703705  1
  H  H175  1  0.886734  0.760886  0.713234  1
  H  H176  1  0.882805  0.542196  0.693521  1
  H  H177  1  0.886745  0.153208  0.703705  1
  H  H178  1  0.384877  0.621471  0.716340  1
  H  H179  1  0.385803  0.402506  0.697727  1
  H  H180  1  0.386724  0.009555  0.707185  1
