# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.90656713
_cell_length_b   10.29771758
_cell_length_c   46.61134099
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.32825219
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H240
_cell_volume   4662.62852178
_cell_formula_units_Z   120
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  0.022361  0.911540  0.286675  1
  H  H2  1  0.689028  0.911540  0.286675  1
  H  H3  1  0.618764  0.447830  0.275983  1
  H  H4  1  0.355694  0.911540  0.286675  1
  H  H5  1  0.285431  0.447830  0.275983  1
  H  H6  1  0.952097  0.447830  0.275983  1
  H  H7  1  0.200405  0.178443  0.281336  1
  H  H8  1  0.867071  0.178443  0.281336  1
  H  H9  1  0.795915  0.725757  0.270027  1
  H  H10  1  0.533738  0.178443  0.281336  1
  H  H11  1  0.462581  0.725757  0.270027  1
  H  H12  1  0.129248  0.725757  0.270027  1
  H  H13  1  0.820710  0.853680  0.311975  1
  H  H14  1  0.487376  0.853680  0.311975  1
  H  H15  1  0.417835  0.379105  0.299442  1
  H  H16  1  0.154043  0.853680  0.311975  1
  H  H17  1  0.084502  0.379105  0.299442  1
  H  H18  1  0.751169  0.379105  0.299442  1
  H  H19  1  1.000603  0.112979  0.304463  1
  H  H20  1  0.667270  0.112979  0.304463  1
  H  H21  1  0.591814  0.644058  0.293230  1
  H  H22  1  0.333936  0.112979  0.304463  1
  H  H23  1  0.258480  0.644058  0.293230  1
  H  H24  1  0.925147  0.644058  0.293230  1
  H  H25  1  0.624020  0.795778  0.334054  1
  H  H26  1  0.290686  0.795778  0.334054  1
  H  H27  1  0.222208  0.323762  0.322841  1
  H  H28  1  0.957353  0.795778  0.334054  1
  H  H29  1  0.888874  0.323762  0.322841  1
  H  H30  1  0.555541  0.323762  0.322841  1
  H  H31  1  0.807792  0.060439  0.328474  1
  H  H32  1  0.474458  0.060439  0.328474  1
  H  H33  1  0.402486  0.589463  0.317151  1
  H  H34  1  0.141125  0.060439  0.328474  1
  H  H35  1  0.069153  0.589463  0.317151  1
  H  H36  1  0.735820  0.589463  0.317151  1
  H  H37  1  0.428582  0.739738  0.357268  1
  H  H38  1  0.095248  0.739738  0.357268  1
  H  H39  1  0.026454  0.266363  0.345403  1
  H  H40  1  0.761915  0.739738  0.357268  1
  H  H41  1  0.693120  0.266363  0.345403  1
  H  H42  1  0.359787  0.266363  0.345403  1
  H  H43  1  0.614347  0.004414  0.351403  1
  H  H44  1  0.281014  0.004414  0.351403  1
  H  H45  1  0.209140  0.531520  0.339709  1
  H  H46  1  0.947680  0.004414  0.351403  1
  H  H47  1  0.875806  0.531520  0.339709  1
  H  H48  1  0.542473  0.531520  0.339709  1
  H  H49  1  0.233959  0.684233  0.379758  1
  H  H50  1  0.900626  0.684233  0.379758  1
  H  H51  1  0.831920  0.212132  0.368418  1
  H  H52  1  0.567292  0.684233  0.379758  1
  H  H53  1  0.498587  0.212132  0.368418  1
  H  H54  1  0.165254  0.212132  0.368418  1
  H  H55  1  0.419930  0.948267  0.374040  1
  H  H56  1  0.086596  0.948267  0.374040  1
  H  H57  1  0.016395  0.475746  0.362585  1
  H  H58  1  0.753263  0.948267  0.374040  1
  H  H59  1  0.683062  0.475746  0.362585  1
  H  H60  1  0.349729  0.475746  0.362585  1
  H  H61  1  0.039313  0.628449  0.402529  1
  H  H62  1  0.705979  0.628449  0.402529  1
  H  H63  1  0.637034  0.156697  0.391109  1
  H  H64  1  0.372646  0.628449  0.402529  1
  H  H65  1  0.303701  0.156697  0.391109  1
  H  H66  1  0.970368  0.156697  0.391109  1
  H  H67  1  0.225999  0.892804  0.396829  1
  H  H68  1  0.892666  0.892804  0.396829  1
  H  H69  1  0.822776  0.420441  0.385228  1
  H  H70  1  0.559333  0.892804  0.396829  1
  H  H71  1  0.489443  0.420441  0.385228  1
  H  H72  1  0.156110  0.420441  0.385228  1
  H  H73  1  0.844932  0.573035  0.425128  1
  H  H74  1  0.511599  0.573035  0.425128  1
  H  H75  1  0.442342  0.100995  0.413809  1
  H  H76  1  0.178265  0.573035  0.425128  1
  H  H77  1  0.109008  0.100995  0.413809  1
  H  H78  1  0.775675  0.100995  0.413809  1
  H  H79  1  0.031721  0.837046  0.419420  1
  H  H80  1  0.698388  0.837046  0.419420  1
  H  H81  1  0.628849  0.365027  0.408057  1
  H  H82  1  0.365054  0.837046  0.419420  1
  H  H83  1  0.295516  0.365027  0.408057  1
  H  H84  1  0.962183  0.365027  0.408057  1
  H  H85  1  0.650508  0.517515  0.447849  1
  H  H86  1  0.317174  0.517515  0.447849  1
  H  H87  1  0.247788  0.045463  0.436477  1
  H  H88  1  0.983841  0.517515  0.447849  1
  H  H89  1  0.914455  0.045463  0.436477  1
  H  H90  1  0.581122  0.045463  0.436477  1
  H  H91  1  0.837396  0.781483  0.442137  1
  H  H92  1  0.504063  0.781483  0.442137  1
  H  H93  1  0.434640  0.309484  0.430727  1
  H  H94  1  0.170729  0.781483  0.442137  1
  H  H95  1  0.101307  0.309484  0.430727  1
  H  H96  1  0.767973  0.309484  0.430727  1
  H  H97  1  0.456069  0.461954  0.470495  1
  H  H98  1  0.122736  0.461954  0.470495  1
  H  H99  1  0.053278  0.989765  0.459131  1
  H  H100  1  0.789403  0.461954  0.470495  1
  H  H101  1  0.719944  0.989765  0.459131  1
  H  H102  1  0.386611  0.989765  0.459131  1
  H  H103  1  0.642991  0.725892  0.464783  1
  H  H104  1  0.309658  0.725892  0.464783  1
  H  H105  1  0.240236  0.253819  0.453437  1
  H  H106  1  0.976325  0.725892  0.464783  1
  H  H107  1  0.906903  0.253819  0.453437  1
  H  H108  1  0.573570  0.253819  0.453437  1
  H  H109  1  0.261627  0.406358  0.493179  1
  H  H110  1  0.928294  0.406358  0.493179  1
  H  H111  1  0.858845  0.934203  0.481814  1
  H  H112  1  0.594961  0.406358  0.493179  1
  H  H113  1  0.525511  0.934203  0.481814  1
  H  H114  1  0.192178  0.934203  0.481814  1
  H  H115  1  0.448588  0.670333  0.487481  1
  H  H116  1  0.115254  0.670333  0.487481  1
  H  H117  1  0.045828  0.198201  0.476106  1
  H  H118  1  0.781921  0.670333  0.487481  1
  H  H119  1  0.712495  0.198201  0.476106  1
  H  H120  1  0.379161  0.198201  0.476106  1
  H  H121  1  0.067165  0.350722  0.515846  1
  H  H122  1  0.733832  0.350722  0.515846  1
  H  H123  1  0.664406  0.878589  0.504472  1
  H  H124  1  0.400499  0.350722  0.515846  1
  H  H125  1  0.331072  0.878589  0.504472  1
  H  H126  1  0.997739  0.878589  0.504472  1
  H  H127  1  0.254149  0.614720  0.510139  1
  H  H128  1  0.920815  0.614720  0.510139  1
  H  H129  1  0.851366  0.142564  0.498774  1
  H  H130  1  0.587482  0.614720  0.510139  1
  H  H131  1  0.518033  0.142564  0.498774  1
  H  H132  1  0.184699  0.142564  0.498774  1
  H  H133  1  0.872757  0.295104  0.538516  1
  H  H134  1  0.539424  0.295104  0.538516  1
  H  H135  1  0.470002  0.823031  0.527169  1
  H  H136  1  0.206090  0.295104  0.538516  1
  H  H137  1  0.136669  0.823031  0.527169  1
  H  H138  1  0.803335  0.823031  0.527169  1
  H  H139  1  0.059716  0.559157  0.532822  1
  H  H140  1  0.726382  0.559157  0.532822  1
  H  H141  1  0.656924  0.086969  0.521458  1
  H  H142  1  0.393049  0.559157  0.532822  1
  H  H143  1  0.323591  0.086969  0.521458  1
  H  H144  1  0.990257  0.086969  0.521458  1
  H  H145  1  0.678353  0.239438  0.561226  1
  H  H146  1  0.345020  0.239438  0.561226  1
  H  H147  1  0.275597  0.767440  0.549815  1
  H  H148  1  0.011687  0.239438  0.561226  1
  H  H149  1  0.942264  0.767440  0.549815  1
  H  H150  1  0.608930  0.767440  0.549815  1
  H  H151  1  0.865205  0.503460  0.555476  1
  H  H152  1  0.531872  0.503460  0.555476  1
  H  H153  1  0.462486  0.031407  0.544104  1
  H  H154  1  0.198538  0.503460  0.555476  1
  H  H155  1  0.129152  0.031407  0.544104  1
  H  H156  1  0.795819  0.031407  0.544104  1
  H  H157  1  0.484144  0.183895  0.583895  1
  H  H158  1  0.150811  0.183895  0.583895  1
  H  H159  1  0.081272  0.711877  0.572533  1
  H  H160  1  0.817477  0.183895  0.583895  1
  H  H161  1  0.747939  0.711877  0.572533  1
  H  H162  1  0.414606  0.711877  0.572533  1
  H  H163  1  0.670652  0.447928  0.578144  1
  H  H164  1  0.337318  0.447928  0.578144  1
  H  H165  1  0.268061  0.975887  0.566825  1
  H  H166  1  0.003985  0.447928  0.578144  1
  H  H167  1  0.934728  0.975887  0.566825  1
  H  H168  1  0.601395  0.975887  0.566825  1
  H  H169  1  0.290217  0.128482  0.606725  1
  H  H170  1  0.956884  0.128482  0.606725  1
  H  H171  1  0.886994  0.656119  0.595123  1
  H  H172  1  0.623550  0.128482  0.606725  1
  H  H173  1  0.553660  0.656119  0.595123  1
  H  H174  1  0.220327  0.656119  0.595123  1
  H  H175  1  0.475959  0.392226  0.600843  1
  H  H176  1  0.142626  0.392226  0.600843  1
  H  H177  1  0.073681  0.920473  0.589424  1
  H  H178  1  0.809292  0.392226  0.600843  1
  H  H179  1  0.740347  0.920473  0.589424  1
  H  H180  1  0.407014  0.920473  0.589424  1
  H  H181  1  0.096598  0.073176  0.629367  1
  H  H182  1  0.763265  0.073176  0.629367  1
  H  H183  1  0.693064  0.600655  0.617913  1
  H  H184  1  0.429931  0.073176  0.629367  1
  H  H185  1  0.359730  0.600655  0.617913  1
  H  H186  1  0.026397  0.600655  0.617913  1
  H  H187  1  0.281073  0.336790  0.623535  1
  H  H188  1  0.947740  0.336790  0.623535  1
  H  H189  1  0.879034  0.864689  0.612195  1
  H  H190  1  0.614406  0.336790  0.623535  1
  H  H191  1  0.545701  0.864689  0.612195  1
  H  H192  1  0.212367  0.864689  0.612195  1
  H  H193  1  0.903854  0.017402  0.652243  1
  H  H194  1  0.570520  0.017402  0.652243  1
  H  H195  1  0.498646  0.544508  0.640550  1
  H  H196  1  0.237187  0.017402  0.652243  1
  H  H197  1  0.165313  0.544508  0.640550  1
  H  H198  1  0.831980  0.544508  0.640550  1
  H  H199  1  0.086539  0.282559  0.646549  1
  H  H200  1  0.753206  0.282559  0.646549  1
  H  H201  1  0.684412  0.809184  0.634685  1
  H  H202  1  0.419873  0.282559  0.646549  1
  H  H203  1  0.351078  0.809184  0.634685  1
  H  H204  1  0.017745  0.809184  0.634685  1
  H  H205  1  0.710507  0.959459  0.674802  1
  H  H206  1  0.377174  0.959459  0.674802  1
  H  H207  1  0.305202  0.488484  0.663479  1
  H  H208  1  0.043840  0.959459  0.674802  1
  H  H209  1  0.971868  0.488484  0.663479  1
  H  H210  1  0.638535  0.488484  0.663479  1
  H  H211  1  0.890785  0.225160  0.669112  1
  H  H212  1  0.557452  0.225160  0.669112  1
  H  H213  1  0.488974  0.753145  0.657898  1
  H  H214  1  0.224119  0.225160  0.669112  1
  H  H215  1  0.155640  0.753145  0.657898  1
  H  H216  1  0.822307  0.753145  0.657898  1
  H  H217  1  0.521180  0.904864  0.698723  1
  H  H218  1  0.187846  0.904864  0.698723  1
  H  H219  1  0.112390  0.435943  0.687489  1
  H  H220  1  0.854513  0.904864  0.698723  1
  H  H221  1  0.779057  0.435943  0.687489  1
  H  H222  1  0.445724  0.435943  0.687489  1
  H  H223  1  0.695158  0.169817  0.692511  1
  H  H224  1  0.361825  0.169817  0.692511  1
  H  H225  1  0.292284  0.695242  0.679977  1
  H  H226  1  0.028491  0.169817  0.692511  1
  H  H227  1  0.958950  0.695242  0.679977  1
  H  H228  1  0.625617  0.695242  0.679977  1
  H  H229  1  0.317079  0.823166  0.721926  1
  H  H230  1  0.983745  0.823166  0.721926  1
  H  H231  1  0.912589  0.370480  0.710616  1
  H  H232  1  0.650412  0.823166  0.721926  1
  H  H233  1  0.579255  0.370480  0.710616  1
  H  H234  1  0.245922  0.370480  0.710616  1
  H  H235  1  0.494229  0.101093  0.715970  1
  H  H236  1  0.160896  0.101093  0.715970  1
  H  H237  1  0.090632  0.637383  0.705277  1
  H  H238  1  0.827563  0.101093  0.715970  1
  H  H239  1  0.757299  0.637383  0.705277  1
  H  H240  1  0.423966  0.637383  0.705277  1
