# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.34155156
_cell_length_b   12.55770266
_cell_length_c   47.67332138
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.27380495
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H360
_cell_volume   9110.5739192
_cell_formula_units_Z   180
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  0.450895  0.359535  0.290226  1
  H  H2  1  0.117562  0.026201  0.290226  1
  H  H3  1  0.147239  0.312564  0.320529  1
  H  H4  1  0.843583  0.265594  0.350832  1
  H  H5  1  0.784229  0.692868  0.290226  1
  H  H6  1  0.813906  0.979231  0.320529  1
  H  H7  1  0.510249  0.932261  0.350832  1
  H  H8  1  0.480572  0.645898  0.320529  1
  H  H9  1  0.176916  0.598927  0.350832  1
  H  H10  1  0.484832  0.186997  0.324878  1
  H  H11  1  0.151498  0.853664  0.324878  1
  H  H12  1  0.181176  0.140027  0.355181  1
  H  H13  1  0.788488  0.233968  0.294575  1
  H  H14  1  0.818165  0.520331  0.324878  1
  H  H15  1  0.847842  0.806694  0.355181  1
  H  H16  1  0.455155  0.900634  0.294575  1
  H  H17  1  0.514509  0.473360  0.355181  1
  H  H18  1  0.121821  0.567301  0.294575  1
  H  H19  1  0.501383  0.446293  0.341779  1
  H  H20  1  0.168050  0.112960  0.341779  1
  H  H21  1  0.108696  0.540234  0.281173  1
  H  H22  1  0.805040  0.493263  0.311476  1
  H  H23  1  0.834717  0.779626  0.341779  1
  H  H24  1  0.775362  0.206900  0.281173  1
  H  H25  1  0.471706  0.159930  0.311476  1
  H  H26  1  0.442029  0.873567  0.281173  1
  H  H27  1  0.138373  0.826597  0.311476  1
  H  H28  1  0.446289  0.414667  0.285522  1
  H  H29  1  0.112955  0.081333  0.285522  1
  H  H30  1  0.142632  0.367696  0.315825  1
  H  H31  1  0.838976  0.320726  0.346128  1
  H  H32  1  0.779622  0.748000  0.285522  1
  H  H33  1  0.809299  0.034363  0.315825  1
  H  H34  1  0.505643  0.987393  0.346128  1
  H  H35  1  0.475966  0.701030  0.315825  1
  H  H36  1  0.172309  0.654059  0.346128  1
  H  H37  1  0.647239  0.312564  0.320529  1
  H  H38  1  0.313906  0.979231  0.320529  1
  H  H39  1  0.343583  0.265594  0.350832  1
  H  H40  1  0.950895  0.359535  0.290226  1
  H  H41  1  0.980572  0.645898  0.320529  1
  H  H42  1  0.010249  0.932261  0.350832  1
  H  H43  1  0.617562  0.026201  0.290226  1
  H  H44  1  0.676916  0.598927  0.350832  1
  H  H45  1  0.284229  0.692868  0.290226  1
  H  H46  1  0.681176  0.140027  0.355181  1
  H  H47  1  0.347842  0.806694  0.355181  1
  H  H48  1  0.288488  0.233968  0.294575  1
  H  H49  1  0.984832  0.186997  0.324878  1
  H  H50  1  0.014509  0.473360  0.355181  1
  H  H51  1  0.955155  0.900634  0.294575  1
  H  H52  1  0.651498  0.853664  0.324878  1
  H  H53  1  0.621821  0.567301  0.294575  1
  H  H54  1  0.318165  0.520331  0.324878  1
  H  H55  1  0.608696  0.540234  0.281173  1
  H  H56  1  0.275362  0.206900  0.281173  1
  H  H57  1  0.305040  0.493263  0.311476  1
  H  H58  1  0.001383  0.446293  0.341779  1
  H  H59  1  0.942029  0.873567  0.281173  1
  H  H60  1  0.971706  0.159930  0.311476  1
  H  H61  1  0.668050  0.112960  0.341779  1
  H  H62  1  0.638373  0.826597  0.311476  1
  H  H63  1  0.334717  0.779626  0.341779  1
  H  H64  1  0.642632  0.367696  0.315825  1
  H  H65  1  0.309299  0.034363  0.315825  1
  H  H66  1  0.338976  0.320726  0.346128  1
  H  H67  1  0.946289  0.414667  0.285522  1
  H  H68  1  0.975966  0.701030  0.315825  1
  H  H69  1  0.005643  0.987393  0.346128  1
  H  H70  1  0.612955  0.081333  0.285522  1
  H  H71  1  0.672309  0.654059  0.346128  1
  H  H72  1  0.279622  0.748000  0.285522  1
  H  H73  1  0.539926  0.218624  0.381135  1
  H  H74  1  0.206593  0.885290  0.381135  1
  H  H75  1  0.236270  0.171654  0.411438  1
  H  H76  1  0.932614  0.124683  0.441741  1
  H  H77  1  0.873260  0.551957  0.381135  1
  H  H78  1  0.902937  0.838320  0.411438  1
  H  H79  1  0.599281  0.791350  0.441741  1
  H  H80  1  0.569603  0.504987  0.411438  1
  H  H81  1  0.265947  0.458017  0.441741  1
  H  H82  1  0.573863  0.046087  0.415787  1
  H  H83  1  0.240530  0.712753  0.415787  1
  H  H84  1  0.270207  0.999116  0.446090  1
  H  H85  1  0.877519  0.093057  0.385484  1
  H  H86  1  0.907196  0.379420  0.415787  1
  H  H87  1  0.936873  0.665783  0.446090  1
  H  H88  1  0.544186  0.759724  0.385484  1
  H  H89  1  0.603540  0.332450  0.446090  1
  H  H90  1  0.210853  0.426390  0.385484  1
  H  H91  1  0.590414  0.305382  0.432688  1
  H  H92  1  0.257081  0.972049  0.432688  1
  H  H93  1  0.197727  0.399323  0.372082  1
  H  H94  1  0.894071  0.352353  0.402385  1
  H  H95  1  0.923748  0.638716  0.432688  1
  H  H96  1  0.864394  0.065989  0.372082  1
  H  H97  1  0.560737  0.019019  0.402385  1
  H  H98  1  0.531060  0.732656  0.372082  1
  H  H99  1  0.227404  0.685686  0.402385  1
  H  H100  1  0.535320  0.273756  0.376431  1
  H  H101  1  0.201986  0.940423  0.376431  1
  H  H102  1  0.231663  0.226786  0.406734  1
  H  H103  1  0.928007  0.179815  0.437037  1
  H  H104  1  0.868653  0.607089  0.376431  1
  H  H105  1  0.898330  0.893452  0.406734  1
  H  H106  1  0.594674  0.846482  0.437037  1
  H  H107  1  0.564997  0.560119  0.406734  1
  H  H108  1  0.261340  0.513149  0.437037  1
  H  H109  1  0.736270  0.171654  0.411438  1
  H  H110  1  0.402937  0.838320  0.411438  1
  H  H111  1  0.432614  0.124683  0.441741  1
  H  H112  1  0.039926  0.218624  0.381135  1
  H  H113  1  0.069603  0.504987  0.411438  1
  H  H114  1  0.099281  0.791350  0.441741  1
  H  H115  1  0.706593  0.885290  0.381135  1
  H  H116  1  0.765947  0.458017  0.441741  1
  H  H117  1  0.373260  0.551957  0.381135  1
  H  H118  1  0.770207  0.999116  0.446090  1
  H  H119  1  0.436873  0.665783  0.446090  1
  H  H120  1  0.377519  0.093057  0.385484  1
  H  H121  1  0.073863  0.046087  0.415787  1
  H  H122  1  0.103540  0.332450  0.446090  1
  H  H123  1  0.044186  0.759724  0.385484  1
  H  H124  1  0.740530  0.712753  0.415787  1
  H  H125  1  0.710853  0.426390  0.385484  1
  H  H126  1  0.407196  0.379420  0.415787  1
  H  H127  1  0.697727  0.399323  0.372082  1
  H  H128  1  0.364394  0.065989  0.372082  1
  H  H129  1  0.394071  0.352353  0.402385  1
  H  H130  1  0.090414  0.305382  0.432688  1
  H  H131  1  0.031060  0.732656  0.372082  1
  H  H132  1  0.060737  0.019019  0.402385  1
  H  H133  1  0.757081  0.972049  0.432688  1
  H  H134  1  0.727404  0.685686  0.402385  1
  H  H135  1  0.423748  0.638716  0.432688  1
  H  H136  1  0.731663  0.226786  0.406734  1
  H  H137  1  0.398330  0.893452  0.406734  1
  H  H138  1  0.428007  0.179815  0.437037  1
  H  H139  1  0.035320  0.273756  0.376431  1
  H  H140  1  0.064997  0.560119  0.406734  1
  H  H141  1  0.094674  0.846482  0.437037  1
  H  H142  1  0.701986  0.940423  0.376431  1
  H  H143  1  0.761340  0.513149  0.437037  1
  H  H144  1  0.368653  0.607089  0.376431  1
  H  H145  1  0.628958  0.077713  0.472044  1
  H  H146  1  0.295624  0.744380  0.472044  1
  H  H147  1  0.325301  0.030743  0.502347  1
  H  H148  1  0.021645  0.983773  0.532650  1
  H  H149  1  0.962291  0.411046  0.472044  1
  H  H150  1  0.991968  0.697410  0.502347  1
  H  H151  1  0.688312  0.650439  0.532650  1
  H  H152  1  0.658635  0.364076  0.502347  1
  H  H153  1  0.354978  0.317106  0.532650  1
  H  H154  1  0.662894  0.905176  0.506696  1
  H  H155  1  0.329561  0.571843  0.506696  1
  H  H156  1  0.359238  0.858206  0.536999  1
  H  H157  1  0.966550  0.952146  0.476393  1
  H  H158  1  0.996227  0.238509  0.506696  1
  H  H159  1  0.025904  0.524872  0.536999  1
  H  H160  1  0.633217  0.618813  0.476393  1
  H  H161  1  0.692571  0.191539  0.536999  1
  H  H162  1  0.299884  0.285480  0.476393  1
  H  H163  1  0.679445  0.164472  0.523597  1
  H  H164  1  0.346112  0.831138  0.523597  1
  H  H165  1  0.286758  0.258412  0.462991  1
  H  H166  1  0.983102  0.211442  0.493294  1
  H  H167  1  0.012779  0.497805  0.523597  1
  H  H168  1  0.953425  0.925079  0.462991  1
  H  H169  1  0.649768  0.878109  0.493294  1
  H  H170  1  0.620091  0.591745  0.462991  1
  H  H171  1  0.316435  0.544775  0.493294  1
  H  H172  1  0.624351  0.132845  0.467340  1
  H  H173  1  0.291017  0.799512  0.467340  1
  H  H174  1  0.320694  0.085875  0.497643  1
  H  H175  1  0.017038  0.038905  0.527946  1
  H  H176  1  0.957684  0.466179  0.467340  1
  H  H177  1  0.987361  0.752542  0.497643  1
  H  H178  1  0.683705  0.705571  0.527946  1
  H  H179  1  0.654028  0.419208  0.497643  1
  H  H180  1  0.350371  0.372238  0.527946  1
  H  H181  1  0.825301  0.030743  0.502347  1
  H  H182  1  0.491968  0.697410  0.502347  1
  H  H183  1  0.521645  0.983773  0.532650  1
  H  H184  1  0.128958  0.077713  0.472044  1
  H  H185  1  0.158635  0.364076  0.502347  1
  H  H186  1  0.188312  0.650439  0.532650  1
  H  H187  1  0.795624  0.744380  0.472044  1
  H  H188  1  0.854978  0.317106  0.532650  1
  H  H189  1  0.462291  0.411046  0.472044  1
  H  H190  1  0.859238  0.858206  0.536999  1
  H  H191  1  0.525904  0.524872  0.536999  1
  H  H192  1  0.466550  0.952146  0.476393  1
  H  H193  1  0.162894  0.905176  0.506696  1
  H  H194  1  0.192571  0.191539  0.536999  1
  H  H195  1  0.133217  0.618813  0.476393  1
  H  H196  1  0.829561  0.571843  0.506696  1
  H  H197  1  0.799884  0.285480  0.476393  1
  H  H198  1  0.496227  0.238509  0.506696  1
  H  H199  1  0.786758  0.258412  0.462991  1
  H  H200  1  0.453425  0.925079  0.462991  1
  H  H201  1  0.483102  0.211442  0.493294  1
  H  H202  1  0.179445  0.164472  0.523597  1
  H  H203  1  0.120091  0.591745  0.462991  1
  H  H204  1  0.149768  0.878109  0.493294  1
  H  H205  1  0.846112  0.831138  0.523597  1
  H  H206  1  0.816435  0.544775  0.493294  1
  H  H207  1  0.512779  0.497805  0.523597  1
  H  H208  1  0.820694  0.085875  0.497643  1
  H  H209  1  0.487361  0.752542  0.497643  1
  H  H210  1  0.517038  0.038905  0.527946  1
  H  H211  1  0.124351  0.132845  0.467340  1
  H  H212  1  0.154028  0.419208  0.497643  1
  H  H213  1  0.183705  0.705571  0.527946  1
  H  H214  1  0.791017  0.799512  0.467340  1
  H  H215  1  0.850371  0.372238  0.527946  1
  H  H216  1  0.457684  0.466179  0.467340  1
  H  H217  1  0.717989  0.936802  0.562953  1
  H  H218  1  0.384655  0.603469  0.562953  1
  H  H219  1  0.414332  0.889832  0.593256  1
  H  H220  1  0.110676  0.842862  0.623559  1
  H  H221  1  0.051322  0.270136  0.562953  1
  H  H222  1  0.080999  0.556499  0.593256  1
  H  H223  1  0.777343  0.509529  0.623559  1
  H  H224  1  0.747666  0.223166  0.593256  1
  H  H225  1  0.444009  0.176195  0.623559  1
  H  H226  1  0.751925  0.764265  0.597606  1
  H  H227  1  0.418592  0.430932  0.597606  1
  H  H228  1  0.448269  0.717295  0.627909  1
  H  H229  1  0.055581  0.811236  0.567303  1
  H  H230  1  0.085258  0.097599  0.597606  1
  H  H231  1  0.114935  0.383962  0.627909  1
  H  H232  1  0.722248  0.477902  0.567303  1
  H  H233  1  0.781602  0.050628  0.627909  1
  H  H234  1  0.388915  0.144569  0.567303  1
  H  H235  1  0.768476  0.023561  0.614506  1
  H  H236  1  0.435143  0.690228  0.614506  1
  H  H237  1  0.375789  0.117501  0.553900  1
  H  H238  1  0.072133  0.070531  0.584203  1
  H  H239  1  0.101810  0.356894  0.614506  1
  H  H240  1  0.042456  0.784168  0.553900  1
  H  H241  1  0.738799  0.737198  0.584203  1
  H  H242  1  0.709122  0.450835  0.553900  1
  H  H243  1  0.405466  0.403864  0.584203  1
  H  H244  1  0.713382  0.991934  0.558249  1
  H  H245  1  0.380048  0.658601  0.558249  1
  H  H246  1  0.409725  0.944964  0.588552  1
  H  H247  1  0.106069  0.897994  0.618855  1
  H  H248  1  0.046715  0.325268  0.558249  1
  H  H249  1  0.076392  0.611631  0.588552  1
  H  H250  1  0.772736  0.564661  0.618855  1
  H  H251  1  0.743059  0.278298  0.588552  1
  H  H252  1  0.439403  0.231327  0.618855  1
  H  H253  1  0.914332  0.889832  0.593256  1
  H  H254  1  0.580999  0.556499  0.593256  1
  H  H255  1  0.610676  0.842862  0.623559  1
  H  H256  1  0.217989  0.936802  0.562953  1
  H  H257  1  0.247666  0.223166  0.593256  1
  H  H258  1  0.277343  0.509529  0.623559  1
  H  H259  1  0.884655  0.603469  0.562953  1
  H  H260  1  0.944009  0.176195  0.623559  1
  H  H261  1  0.551322  0.270136  0.562953  1
  H  H262  1  0.948269  0.717295  0.627909  1
  H  H263  1  0.614935  0.383962  0.627909  1
  H  H264  1  0.555581  0.811236  0.567303  1
  H  H265  1  0.251925  0.764265  0.597606  1
  H  H266  1  0.281602  0.050628  0.627909  1
  H  H267  1  0.222248  0.477902  0.567303  1
  H  H268  1  0.918592  0.430932  0.597606  1
  H  H269  1  0.888915  0.144569  0.567303  1
  H  H270  1  0.585258  0.097599  0.597606  1
  H  H271  1  0.875789  0.117501  0.553900  1
  H  H272  1  0.542456  0.784168  0.553900  1
  H  H273  1  0.572133  0.070531  0.584203  1
  H  H274  1  0.268476  0.023561  0.614506  1
  H  H275  1  0.209122  0.450835  0.553900  1
  H  H276  1  0.238799  0.737198  0.584203  1
  H  H277  1  0.935143  0.690228  0.614506  1
  H  H278  1  0.905466  0.403864  0.584203  1
  H  H279  1  0.601810  0.356894  0.614506  1
  H  H280  1  0.909725  0.944964  0.588552  1
  H  H281  1  0.576392  0.611631  0.588552  1
  H  H282  1  0.606069  0.897994  0.618855  1
  H  H283  1  0.213382  0.991934  0.558249  1
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