# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.69109245
_cell_length_b   5.95321393
_cell_length_c   65.48126223
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.31623597
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H252
_cell_volume   5138.40647709
_cell_formula_units_Z   126
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  0.237790  0.301951  0.157873  1
  H  H2  1  0.086865  0.445381  0.138450  1
  H  H3  1  0.926205  0.389289  0.148734  1
  H  H4  1  0.009880  0.998254  0.150582  1
  H  H5  1  0.767868  0.347122  0.159712  1
  H  H6  1  0.700527  1.092018  0.141827  1
  H  H7  1  0.540906  1.047908  0.152895  1
  H  H8  1  0.554058  0.394070  0.136339  1
  H  H9  1  0.623851  0.649385  0.154016  1
  H  H10  1  0.396932  0.348415  0.147015  1
  H  H11  1  0.381360  0.998413  0.163736  1
  H  H12  1  0.470252  0.798777  0.135192  1
  H  H13  1  0.311657  0.739752  0.145314  1
  H  H14  1  0.322501  1.102958  0.129665  1
  H  H15  1  0.165405  1.042800  0.139854  1
  H  H16  1  0.154101  0.697772  0.156392  1
  H  H17  1  0.937795  0.749828  0.133141  1
  H  H18  1  0.779478  0.691405  0.143202  1
  H  H19  1  0.292977  0.200529  0.191768  1
  H  H20  1  0.079466  0.247876  0.168817  1
  H  H21  1  0.921248  0.197809  0.179298  1
  H  H22  1  0.906822  0.850337  0.195221  1
  H  H23  1  0.762504  1.147572  0.189679  1
  H  H24  1  0.851622  0.951091  0.161288  1
  H  H25  1  0.693693  0.897473  0.172301  1
  H  H26  1  0.609753  0.299698  0.170690  1
  H  H27  1  0.679477  0.550329  0.188118  1
  H  H28  1  0.451560  0.249539  0.181139  1
  H  H29  1  0.535032  0.846929  0.182630  1
  H  H30  1  0.465517  0.597884  0.165373  1
  H  H31  1  0.307609  0.547748  0.175831  1
  H  H32  1  0.223979  0.950322  0.173965  1
  H  H33  1  0.065372  0.899832  0.184619  1
  H  H34  1  0.148553  0.497444  0.186210  1
  H  H35  1  0.995456  0.647429  0.167177  1
  H  H36  1  0.837944  0.599683  0.177394  1
  H  H37  1  0.286978  0.996277  0.221307  1
  H  H38  1  0.134922  1.149878  0.202384  1
  H  H39  1  0.976470  1.100069  0.212973  1
  H  H40  1  0.059162  0.696696  0.214189  1
  H  H41  1  0.818071  1.050344  0.223532  1
  H  H42  1  0.748960  0.799823  0.205918  1
  H  H43  1  0.590569  0.749805  0.216520  1
  H  H44  1  0.603858  1.096540  0.200207  1
  H  H45  1  0.673154  0.346409  0.217724  1
  H  H46  1  0.445522  1.046416  0.210696  1
  H  H47  1  0.432211  0.699617  0.227145  1
  H  H48  1  0.521108  0.499973  0.198912  1
  H  H49  1  0.362786  0.449941  0.209490  1
  H  H50  1  0.376244  0.797315  0.193335  1
  H  H51  1  0.217600  0.747239  0.203681  1
  H  H52  1  0.204295  0.400223  0.220019  1
  H  H53  1  0.989984  0.447196  0.196815  1
  H  H54  1  0.831411  0.397363  0.207180  1
  H  H55  1  0.343102  0.899247  0.255147  1
  H  H56  1  0.128501  0.945883  0.231865  1
  H  H57  1  0.970000  0.896055  0.242438  1
  H  H58  1  0.956975  0.547941  0.258659  1
  H  H59  1  0.811517  0.846259  0.253066  1
  H  H60  1  0.900778  0.646298  0.224812  1
  H  H61  1  0.742472  0.595524  0.235455  1
  H  H62  1  0.659727  0.999693  0.234099  1
  H  H63  1  0.728740  0.248612  0.251725  1
  H  H64  1  0.501332  0.949297  0.244663  1
  H  H65  1  0.584182  0.545356  0.246101  1
  H  H66  1  0.514811  0.295806  0.228388  1
  H  H67  1  0.356352  0.245879  0.238971  1
  H  H68  1  0.273829  0.649300  0.237650  1
  H  H69  1  0.115413  0.598800  0.248112  1
  H  H70  1  0.197838  0.195994  0.249553  1
  H  H71  1  0.045915  0.349679  0.230605  1
  H  H72  1  0.887337  0.299440  0.241154  1
  H  H73  1  0.336915  0.698784  0.284905  1
  H  H74  1  0.184887  0.848561  0.265573  1
  H  H75  1  0.026906  0.798350  0.275961  1
  H  H76  1  0.109489  0.396470  0.277948  1
  H  H77  1  0.868718  0.748461  0.286369  1
  H  H78  1  0.798545  0.496005  0.269357  1
  H  H79  1  0.639862  0.445093  0.280092  1
  H  H80  1  0.653293  0.796410  0.263712  1
  H  H81  1  0.722642  1.049179  0.281717  1
  H  H82  1  0.495061  0.747009  0.274383  1
  H  H83  1  0.481145  0.395793  0.290663  1
  H  H84  1  0.570345  0.198011  0.262289  1
  H  H85  1  0.412148  1.147928  0.272853  1
  H  H86  1  0.425758  0.495538  0.256709  1
  H  H87  1  0.267287  0.445764  0.267350  1
  H  H88  1  0.254469  1.097091  0.283291  1
  H  H89  1  0.039410  1.146489  0.260210  1
  H  H90  1  0.881255  1.097325  0.270903  1
  H  H91  1  0.387308  0.601347  0.318259  1
  H  H92  1  0.180727  0.651474  0.295713  1
  H  H93  1  0.028298  0.607069  0.306287  1
  H  H94  1  0.020108  0.254551  0.321711  1
  H  H95  1  0.880632  0.568725  0.316994  1
  H  H96  1  0.951922  0.347641  0.288779  1
  H  H97  1  0.794172  0.299193  0.299840  1
  H  H98  1  0.709959  0.697636  0.296823  1
  H  H99  1  0.780815  0.944333  0.314995  1
  H  H100  1  0.549510  0.648082  0.307517  1
  H  H101  1  0.634869  0.255545  0.311198  1
  H  H102  1  0.564193  1.000634  0.292453  1
  H  H103  1  0.404882  0.952944  0.303140  1
  H  H104  1  0.323305  0.347086  0.301280  1
  H  H105  1  0.169278  0.298692  0.311607  1
  H  H106  1  0.245755  0.907225  0.314076  1
  H  H107  1  0.097246  1.045397  0.293769  1
  H  H108  1  0.939949  0.993802  0.304411  1
  H  H109  1  0.454129  0.476892  0.348165  1
  H  H110  1  0.223732  0.556558  0.330000  1
  H  H111  1  0.060045  0.523981  0.341236  1
  H  H112  1  0.162693  1.129106  0.343590  1
  H  H113  1  0.899290  0.493405  0.352650  1
  H  H114  1  0.874219  0.218224  0.331570  1
  H  H115  1  0.730910  0.186646  0.341040  1
  H  H116  1  0.737073  0.535535  0.327692  1
  H  H117  1  0.761573  0.811365  0.348858  1
  H  H118  1  0.595605  0.511571  0.338724  1
  H  H119  1  0.588593  1.156092  0.349507  1
  H  H120  1  0.622178  0.891374  0.325421  1
  H  H121  1  0.462599  0.845429  0.335966  1
  H  H122  1  0.476850  0.208297  0.321776  1
  H  H123  1  0.320173  1.164953  0.332647  1
  H  H124  1  0.302883  0.804683  0.346807  1
  H  H125  1  0.086214  0.867884  0.325566  1
  H  H126  1  0.923966  0.837743  0.337196  1
  H  H127  1  0.426282  0.383902  0.385622  1
  H  H128  1  0.315171  0.436524  0.357834  1
  H  H129  1  0.172717  0.406323  0.366280  1
  H  H130  1  0.166642  1.057516  0.379734  1
  H  H131  1  0.029378  0.374452  0.375797  1
  H  H132  1  0.003751  1.099495  0.354772  1
  H  H133  1  0.842930  1.068761  0.366177  1
  H  H134  1  0.740437  0.463604  0.363824  1
  H  H135  1  0.816854  0.724699  0.381865  1
  H  H136  1  0.582977  0.427529  0.374749  1
  H  H137  1  0.679269  1.035938  0.377427  1
  H  H138  1  0.600177  0.788038  0.360608  1
  H  H139  1  0.440450  0.746881  0.371421  1
  H  H140  1  0.449651  1.115575  0.359183  1
  H  H141  1  0.308066  1.081383  0.368644  1
  H  H142  1  0.280870  0.700785  0.381970  1
  H  H143  1  0.141421  0.781867  0.358582  1
  H  H144  1  0.979031  0.755120  0.370235  1
  H  H145  1  0.579876  0.245015  0.406101  1
  H  H146  1  0.268178  0.336772  0.396205  1
  H  H147  1  0.108922  0.293028  0.407588  1
  H  H148  1  0.193068  0.894368  0.410582  1
  H  H149  1  0.951216  0.244473  0.418631  1
  H  H150  1  0.022966  1.023871  0.390407  1
  H  H151  1  0.875115  0.985298  0.401105  1
  H  H152  1  0.883411  0.337800  0.385662  1
  H  H153  1  0.805914  0.546646  0.413621  1
  H  H154  1  0.734064  0.293558  0.395774  1
  H  H155  1  0.722519  0.940768  0.411684  1
  H  H156  1  0.657339  0.685156  0.393335  1
  H  H157  1  0.498178  0.639243  0.404248  1
  H  H158  1  0.515622  0.990839  0.389149  1
  H  H159  1  0.353496  0.944173  0.399868  1
  H  H160  1  0.338890  0.591529  0.414944  1
  H  H161  1  0.122238  0.647690  0.392399  1
  H  H162  1  0.963178  0.598225  0.402988  1
  H  H163  1  0.477355  1.096574  0.450680  1
  H  H164  1  0.421950  0.196365  0.416730  1
  H  H165  1  0.263240  1.146962  0.427299  1
  H  H166  1  0.249825  0.795684  0.443689  1
  H  H167  1  0.104544  1.096009  0.438053  1
  H  H168  1  0.034385  0.843583  0.421021  1
  H  H169  1  0.876212  0.793771  0.431427  1
  H  H170  1  0.793659  0.195681  0.429444  1
  H  H171  1  0.863697  0.445650  0.447187  1
  H  H172  1  0.635825  1.146347  0.440040  1
  H  H173  1  0.718222  0.743523  0.441811  1
  H  H174  1  0.648665  0.494961  0.424092  1
  H  H175  1  0.490980  0.444170  0.434531  1
  H  H176  1  0.566221  0.893394  0.422482  1
  H  H177  1  0.408055  0.845126  0.433003  1
  H  H178  1  0.332768  0.394070  0.445103  1
  H  H179  1  0.180464  0.542945  0.425686  1
  H  H180  1  0.021845  0.494820  0.436503  1
  H  H181  1  0.629283  0.942808  0.469738  1
  H  H182  1  0.318936  1.046745  0.461291  1
  H  H183  1  0.160644  0.996569  0.471945  1
  H  H184  1  0.243389  0.592378  0.473294  1
  H  H185  1  1.002334  0.945800  0.482584  1
  H  H186  1  0.091593  0.745833  0.454332  1
  H  H187  1  0.933100  0.696073  0.464958  1
  H  H188  1  0.946129  1.044125  0.448737  1
  H  H189  1  0.857186  0.242426  0.476789  1
  H  H190  1  0.787690  0.993303  0.459275  1
  H  H191  1  0.774602  0.646241  0.475526  1
  H  H192  1  0.705267  0.396126  0.457838  1
  H  H193  1  0.546760  0.346240  0.468418  1
  H  H194  1  0.560012  0.692865  0.452237  1
  H  H195  1  0.401792  0.642800  0.462723  1
  H  H196  1  0.388309  0.296297  0.479004  1
  H  H197  1  0.174368  0.343442  0.455665  1
  H  H198  1  0.015762  0.292653  0.466244  1
  H  H199  1  0.526871  0.794794  0.514056  1
  H  H200  1  0.470908  0.892486  0.480244  1
  H  H201  1  0.312552  0.842287  0.490871  1
  H  H202  1  0.299260  0.495563  0.507187  1
  H  H203  1  0.154157  0.792268  0.501477  1
  H  H204  1  0.085043  0.541747  0.483862  1
  H  H205  1  0.926633  0.492049  0.494421  1
  H  H206  1  0.843943  0.895423  0.493203  1
  H  H207  1  0.913127  1.144922  0.510578  1
  H  H208  1  0.685511  0.844876  0.503710  1
  H  H209  1  0.768186  0.442246  0.505009  1
  H  H210  1  0.698814  0.191885  0.487371  1
  H  H211  1  0.540331  1.142170  0.497899  1
  H  H212  1  0.616132  0.595840  0.486083  1
  H  H213  1  0.457595  0.545694  0.496694  1
  H  H214  1  0.382010  1.092133  0.508480  1
  H  H215  1  0.229964  0.245696  0.489669  1
  H  H216  1  0.071701  0.194746  0.500216  1
  H  H217  1  0.679135  0.641798  0.533427  1
  H  H218  1  0.368087  0.745178  0.524762  1
  H  H219  1  0.209425  0.694641  0.535093  1
  H  H220  1  0.293366  0.292412  0.536702  1
  H  H221  1  0.051494  0.641025  0.546105  1
  H  H222  1  0.140613  0.444537  0.517715  1
  H  H223  1  0.981863  0.394309  0.528096  1
  H  H224  1  0.996291  0.741775  0.512173  1
  H  H225  1  0.907658  0.944695  0.540216  1
  H  H226  1  0.837738  0.692293  0.522774  1
  H  H227  1  0.823648  0.344248  0.538575  1
  H  H228  1  0.754559  1.094674  0.521182  1
  H  H229  1  0.595506  1.044368  0.531560  1
  H  H230  1  0.610136  0.391588  0.515623  1
  H  H231  1  0.451558  0.342574  0.526252  1
  H  H232  1  0.437601  0.994230  0.542019  1
  H  H233  1  0.223641  1.041778  0.519275  1
  H  H234  1  0.065171  0.992432  0.530000  1
  H  H235  1  0.580613  0.489160  0.577727  1
  H  H236  1  0.521756  0.593700  0.543655  1
  H  H237  1  0.362214  0.544205  0.554497  1
  H  H238  1  0.349062  0.198046  0.571054  1
  H  H239  1  0.202593  0.500096  0.565566  1
  H  H240  1  0.135250  0.244990  0.547681  1
  H  H241  1  0.976912  0.202832  0.558659  1
  H  H242  1  0.893231  0.593871  0.556812  1
  H  H243  1  0.965320  0.842297  0.574251  1
  H  H244  1  0.737707  0.549321  0.567538  1
  H  H245  1  0.816250  1.146748  0.568942  1
  H  H246  1  0.749011  0.894351  0.551000  1
  H  H247  1  0.591459  0.852372  0.562078  1
  H  H248  1  0.665325  0.290172  0.549518  1
  H  H249  1  0.506184  0.243702  0.560377  1
  H  H250  1  0.432865  0.793341  0.572200  1
  H  H251  1  0.279268  0.942725  0.553377  1
  H  H252  1  0.123640  0.900710  0.564191  1
