# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.56622925
_cell_length_b   12.52280704
_cell_length_c   47.61524557
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.33177035
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H384
_cell_volume   9387.52015252
_cell_formula_units_Z   192
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  0.549222  0.601639  0.302612  1
  H  H2  1  0.191099  0.189915  0.283004  1
  H  H3  1  0.907344  0.513363  0.322220  1
  H  H4  1  0.907344  0.013363  0.322220  1
  H  H5  1  0.549222  0.101639  0.302612  1
  H  H6  1  0.191099  0.689915  0.283004  1
  H  H7  1  0.559895  0.885391  0.311054  1
  H  H8  1  0.201773  0.473667  0.291447  1
  H  H9  1  0.843651  0.561943  0.271839  1
  H  H10  1  0.843651  0.061943  0.271839  1
  H  H11  1  0.559895  0.385391  0.311054  1
  H  H12  1  0.201773  0.973667  0.291447  1
  H  H13  1  0.541816  0.378011  0.296754  1
  H  H14  1  0.183694  0.966287  0.277146  1
  H  H15  1  0.899938  0.289735  0.316362  1
  H  H16  1  0.899938  0.789735  0.316362  1
  H  H17  1  0.541816  0.878011  0.296754  1
  H  H18  1  0.183694  0.466287  0.277146  1
  H  H19  1  0.552489  0.661763  0.305197  1
  H  H20  1  0.194367  0.250039  0.285589  1
  H  H21  1  0.836245  0.338317  0.265981  1
  H  H22  1  0.836245  0.838317  0.265981  1
  H  H23  1  0.552489  0.161763  0.305197  1
  H  H24  1  0.194367  0.750039  0.285589  1
  H  H25  1  0.728283  0.057501  0.312416  1
  H  H26  1  0.370161  0.645777  0.292808  1
  H  H27  1  0.012038  0.734053  0.273200  1
  H  H28  1  0.012038  0.234053  0.273200  1
  H  H29  1  0.728283  0.557501  0.312416  1
  H  H30  1  0.370161  0.145777  0.292808  1
  H  H31  1  0.738956  0.841253  0.320858  1
  H  H32  1  0.380834  0.429529  0.301251  1
  H  H33  1  0.022712  0.517805  0.281643  1
  H  H34  1  0.022712  0.017805  0.281643  1
  H  H35  1  0.738956  0.341253  0.320858  1
  H  H36  1  0.380834  0.929529  0.301251  1
  H  H37  1  0.720877  0.833873  0.306558  1
  H  H38  1  0.362755  0.422149  0.286950  1
  H  H39  1  0.004633  0.510425  0.267342  1
  H  H40  1  0.004633  0.010425  0.267342  1
  H  H41  1  0.720877  0.333873  0.306558  1
  H  H42  1  0.362755  0.922149  0.286950  1
  H  H43  1  0.731550  0.617625  0.315001  1
  H  H44  1  0.373428  0.205901  0.295393  1
  H  H45  1  0.015306  0.294177  0.275785  1
  H  H46  1  0.015306  0.794177  0.275785  1
  H  H47  1  0.731550  0.117625  0.315001  1
  H  H48  1  0.373428  0.705901  0.295393  1
  H  H49  1  0.623588  0.836811  0.361436  1
  H  H50  1  0.265466  0.425087  0.341828  1
  H  H51  1  0.981711  0.748535  0.381043  1
  H  H52  1  0.981711  0.248535  0.381043  1
  H  H53  1  0.623588  0.336811  0.361436  1
  H  H54  1  0.265466  0.925087  0.341828  1
  H  H55  1  0.634262  0.120563  0.369878  1
  H  H56  1  0.276139  0.708839  0.350270  1
  H  H57  1  0.918017  0.797115  0.330662  1
  H  H58  1  0.918017  0.297115  0.330662  1
  H  H59  1  0.634262  0.620563  0.369878  1
  H  H60  1  0.276139  0.208839  0.350270  1
  H  H61  1  0.616183  0.613183  0.355578  1
  H  H62  1  0.258061  0.201459  0.335970  1
  H  H63  1  0.974305  0.524907  0.375186  1
  H  H64  1  0.974305  0.024907  0.375186  1
  H  H65  1  0.616183  0.113183  0.355578  1
  H  H66  1  0.258061  0.701459  0.335970  1
  H  H67  1  0.626856  0.896936  0.364020  1
  H  H68  1  0.268734  0.485211  0.344412  1
  H  H69  1  0.910611  0.573487  0.324804  1
  H  H70  1  0.910611  0.073487  0.324804  1
  H  H71  1  0.626856  0.396936  0.364020  1
  H  H72  1  0.268734  0.985211  0.344412  1
  H  H73  1  0.802650  0.292673  0.371239  1
  H  H74  1  0.444527  0.880949  0.351632  1
  H  H75  1  0.086405  0.969225  0.332024  1
  H  H76  1  0.086405  0.469225  0.332024  1
  H  H77  1  0.802650  0.792673  0.371239  1
  H  H78  1  0.444527  0.380949  0.351632  1
  H  H79  1  0.813323  0.076425  0.379682  1
  H  H80  1  0.455201  0.664701  0.360074  1
  H  H81  1  0.097078  0.752977  0.340466  1
  H  H82  1  0.097078  0.252977  0.340466  1
  H  H83  1  0.813323  0.576425  0.379682  1
  H  H84  1  0.455201  0.164701  0.360074  1
  H  H85  1  0.795244  0.069045  0.365382  1
  H  H86  1  0.437122  0.657321  0.345774  1
  H  H87  1  0.078999  0.745597  0.326166  1
  H  H88  1  0.078999  0.245597  0.326166  1
  H  H89  1  0.795244  0.569045  0.365382  1
  H  H90  1  0.437122  0.157321  0.345774  1
  H  H91  1  0.805917  0.852798  0.373824  1
  H  H92  1  0.447795  0.441074  0.354216  1
  H  H93  1  0.089673  0.529349  0.334608  1
  H  H94  1  0.089673  0.029349  0.334608  1
  H  H95  1  0.805917  0.352798  0.373824  1
  H  H96  1  0.447795  0.941074  0.354216  1
  H  H97  1  0.697955  0.071983  0.420259  1
  H  H98  1  0.339833  0.660259  0.400651  1
  H  H99  1  0.056077  0.983707  0.439867  1
  H  H100  1  0.056077  0.483707  0.439867  1
  H  H101  1  0.697955  0.571983  0.420259  1
  H  H102  1  0.339833  0.160259  0.400651  1
  H  H103  1  0.708628  0.355735  0.428702  1
  H  H104  1  0.350506  0.944011  0.409094  1
  H  H105  1  0.992384  0.032287  0.389486  1
  H  H106  1  0.992384  0.532287  0.389486  1
  H  H107  1  0.708628  0.855735  0.428702  1
  H  H108  1  0.350506  0.444011  0.409094  1
  H  H109  1  0.690550  0.848356  0.414401  1
  H  H110  1  0.332427  0.436632  0.394793  1
  H  H111  1  0.048672  0.760080  0.434009  1
  H  H112  1  0.048672  0.260080  0.434009  1
  H  H113  1  0.690550  0.348356  0.414401  1
  H  H114  1  0.332427  0.936632  0.394793  1
  H  H115  1  0.701223  0.132108  0.422844  1
  H  H116  1  0.343100  0.720384  0.403236  1
  H  H117  1  0.984978  0.808660  0.383628  1
  H  H118  1  0.984978  0.308660  0.383628  1
  H  H119  1  0.701223  0.632108  0.422844  1
  H  H120  1  0.343100  0.220384  0.403236  1
  H  H121  1  0.877016  0.527845  0.430063  1
  H  H122  1  0.518894  0.116121  0.410455  1
  H  H123  1  0.160772  0.204397  0.390847  1
  H  H124  1  0.160772  0.704397  0.390847  1
  H  H125  1  0.877016  0.027845  0.430063  1
  H  H126  1  0.518894  0.616121  0.410455  1
  H  H127  1  0.887690  0.311597  0.438505  1
  H  H128  1  0.529567  0.899873  0.418898  1
  H  H129  1  0.171445  0.988149  0.399290  1
  H  H130  1  0.171445  0.488149  0.399290  1
  H  H131  1  0.887690  0.811597  0.438505  1
  H  H132  1  0.529567  0.399873  0.418898  1
  H  H133  1  0.869611  0.304218  0.424205  1
  H  H134  1  0.511488  0.892494  0.404597  1
  H  H135  1  0.153366  0.980770  0.384989  1
  H  H136  1  0.153366  0.480770  0.384989  1
  H  H137  1  0.869611  0.804218  0.424205  1
  H  H138  1  0.511488  0.392494  0.404597  1
  H  H139  1  0.880284  0.087970  0.432648  1
  H  H140  1  0.522162  0.676246  0.413040  1
  H  H141  1  0.164039  0.764522  0.393432  1
  H  H142  1  0.164039  0.264522  0.393432  1
  H  H143  1  0.880284  0.587970  0.432648  1
  H  H144  1  0.522162  0.176246  0.413040  1
  H  H145  1  0.772322  0.307155  0.479083  1
  H  H146  1  0.414200  0.895431  0.459475  1
  H  H147  1  0.130444  0.218880  0.498690  1
  H  H148  1  0.130444  0.718880  0.498690  1
  H  H149  1  0.772322  0.807155  0.479083  1
  H  H150  1  0.414200  0.395431  0.459475  1
  H  H151  1  0.782995  0.590908  0.487525  1
  H  H152  1  0.424873  0.179184  0.467917  1
  H  H153  1  0.066751  0.267459  0.448309  1
  H  H154  1  0.066751  0.767459  0.448309  1
  H  H155  1  0.782995  0.090908  0.487525  1
  H  H156  1  0.424873  0.679184  0.467917  1
  H  H157  1  0.764916  0.083528  0.473225  1
  H  H158  1  0.406794  0.671804  0.453617  1
  H  H159  1  0.123039  0.995252  0.492833  1
  H  H160  1  0.123039  0.495252  0.492833  1
  H  H161  1  0.764916  0.583528  0.473225  1
  H  H162  1  0.406794  0.171804  0.453617  1
  H  H163  1  0.775589  0.367280  0.481667  1
  H  H164  1  0.417467  0.955556  0.462059  1
  H  H165  1  0.059345  0.043832  0.442452  1
  H  H166  1  0.059345  0.543832  0.442452  1
  H  H167  1  0.775589  0.867280  0.481667  1
  H  H168  1  0.417467  0.455556  0.462059  1
  H  H169  1  0.951383  0.763018  0.488887  1
  H  H170  1  0.593261  0.351293  0.469279  1
  H  H171  1  0.235139  0.439569  0.449671  1
  H  H172  1  0.235139  0.939569  0.449671  1
  H  H173  1  0.951383  0.263018  0.488887  1
  H  H174  1  0.593261  0.851293  0.469279  1
  H  H175  1  0.962056  0.546770  0.497329  1
  H  H176  1  0.603934  0.135046  0.477721  1
  H  H177  1  0.245812  0.223322  0.458113  1
  H  H178  1  0.245812  0.723322  0.458113  1
  H  H179  1  0.962056  0.046770  0.497329  1
  H  H180  1  0.603934  0.635046  0.477721  1
  H  H181  1  0.943977  0.539390  0.483029  1
  H  H182  1  0.585855  0.127666  0.463421  1
  H  H183  1  0.227733  0.215942  0.443813  1
  H  H184  1  0.227733  0.715942  0.443813  1
  H  H185  1  0.943977  0.039390  0.483029  1
  H  H186  1  0.585855  0.627666  0.463421  1
  H  H187  1  0.954651  0.323142  0.491471  1
  H  H188  1  0.596528  0.911418  0.471863  1
  H  H189  1  0.238406  0.999694  0.452255  1
  H  H190  1  0.238406  0.499694  0.452255  1
  H  H191  1  0.954651  0.823142  0.491471  1
  H  H192  1  0.596528  0.411418  0.471863  1
  H  H193  1  0.846689  0.542328  0.537906  1
  H  H194  1  0.488566  0.130604  0.518298  1
  H  H195  1  0.204811  0.454052  0.557514  1
  H  H196  1  0.204811  0.954052  0.557514  1
  H  H197  1  0.846689  0.042328  0.537906  1
  H  H198  1  0.488566  0.630604  0.518298  1
  H  H199  1  0.857362  0.826080  0.546349  1
  H  H200  1  0.499240  0.414356  0.526741  1
  H  H201  1  0.141117  0.502632  0.507133  1
  H  H202  1  0.141117  0.002632  0.507133  1
  H  H203  1  0.857362  0.326080  0.546349  1
  H  H204  1  0.499240  0.914356  0.526741  1
  H  H205  1  0.839283  0.318700  0.532048  1
  H  H206  1  0.481161  0.906976  0.512440  1
  H  H207  1  0.197405  0.230424  0.551656  1
  H  H208  1  0.197405  0.730424  0.551656  1
  H  H209  1  0.839283  0.818700  0.532048  1
  H  H210  1  0.481161  0.406976  0.512440  1
  H  H211  1  0.849956  0.602452  0.540491  1
  H  H212  1  0.491834  0.190728  0.520883  1
  H  H213  1  0.133712  0.279004  0.501275  1
  H  H214  1  0.133712  0.779004  0.501275  1
  H  H215  1  0.849956  0.102452  0.540491  1
  H  H216  1  0.491834  0.690728  0.520883  1
  H  H217  1  0.025750  0.998190  0.547710  1
  H  H218  1  0.667628  0.586466  0.528102  1
  H  H219  1  0.309505  0.674742  0.508494  1
  H  H220  1  0.309505  0.174742  0.508494  1
  H  H221  1  0.025750  0.498190  0.547710  1
  H  H222  1  0.667628  0.086466  0.528102  1
  H  H223  1  0.036423  0.781942  0.556153  1
  H  H224  1  0.678301  0.370218  0.536545  1
  H  H225  1  0.320179  0.458494  0.516937  1
  H  H226  1  0.320179  0.958494  0.516937  1
  H  H227  1  0.036423  0.281942  0.556153  1
  H  H228  1  0.678301  0.870218  0.536545  1
  H  H229  1  0.018344  0.774562  0.541852  1
  H  H230  1  0.660222  0.362838  0.522244  1
  H  H231  1  0.302100  0.451114  0.502637  1
  H  H232  1  0.302100  0.951114  0.502637  1
  H  H233  1  0.018344  0.274562  0.541852  1
  H  H234  1  0.660222  0.862838  0.522244  1
  H  H235  1  0.029017  0.558314  0.550295  1
  H  H236  1  0.670895  0.146590  0.530687  1
  H  H237  1  0.312773  0.234866  0.511079  1
  H  H238  1  0.312773  0.734866  0.511079  1
  H  H239  1  0.029017  0.058314  0.550295  1
  H  H240  1  0.670895  0.646590  0.530687  1
  H  H241  1  0.921055  0.777500  0.596730  1
  H  H242  1  0.562933  0.365776  0.577122  1
  H  H243  1  0.279178  0.689224  0.616338  1
  H  H244  1  0.279178  0.189224  0.616338  1
  H  H245  1  0.921055  0.277500  0.596730  1
  H  H246  1  0.562933  0.865776  0.577122  1
  H  H247  1  0.931729  0.061252  0.605172  1
  H  H248  1  0.573606  0.649528  0.585564  1
  H  H249  1  0.215484  0.737804  0.565956  1
  H  H250  1  0.215484  0.237804  0.565956  1
  H  H251  1  0.931729  0.561252  0.605172  1
  H  H252  1  0.573606  0.149528  0.585564  1
  H  H253  1  0.913650  0.553872  0.590872  1
  H  H254  1  0.555528  0.142148  0.571264  1
  H  H255  1  0.271772  0.465596  0.610480  1
  H  H256  1  0.271772  0.965596  0.610480  1
  H  H257  1  0.913650  0.053872  0.590872  1
  H  H258  1  0.555528  0.642148  0.571264  1
  H  H259  1  0.924323  0.837624  0.599314  1
  H  H260  1  0.566201  0.425900  0.579706  1
  H  H261  1  0.208078  0.514176  0.560099  1
  H  H262  1  0.208078  0.014176  0.560099  1
  H  H263  1  0.924323  0.337624  0.599314  1
  H  H264  1  0.566201  0.925900  0.579706  1
  H  H265  1  0.100117  0.233362  0.606534  1
  H  H266  1  0.741994  0.821638  0.586926  1
  H  H267  1  0.383872  0.909914  0.567318  1
  H  H268  1  0.383872  0.409914  0.567318  1
  H  H269  1  0.100117  0.733362  0.606534  1
  H  H270  1  0.741994  0.321638  0.586926  1
  H  H271  1  0.110790  0.017114  0.614976  1
  H  H272  1  0.752668  0.605390  0.595368  1
  H  H273  1  0.394545  0.693666  0.575760  1
  H  H274  1  0.394545  0.193666  0.575760  1
  H  H275  1  0.110790  0.517114  0.614976  1
  H  H276  1  0.752668  0.105390  0.595368  1
  H  H277  1  0.092711  0.009734  0.600676  1
  H  H278  1  0.734589  0.598010  0.581068  1
  H  H279  1  0.376466  0.686286  0.561460  1
  H  H280  1  0.376466  0.186286  0.561460  1
  H  H281  1  0.092711  0.509734  0.600676  1
  H  H282  1  0.734589  0.098010  0.581068  1
  H  H283  1  0.103384  0.793486  0.609118  1
  H  H284  1  0.745262  0.381762  0.589510  1
  H  H285  1  0.387140  0.470038  0.569903  1
  H  H286  1  0.387140  0.970038  0.569903  1
  H  H287  1  0.103384  0.293486  0.609118  1
  H  H288  1  0.745262  0.881762  0.589510  1
  H  H289  1  0.995422  0.012672  0.655553  1
  H  H290  1  0.637300  0.600948  0.635945  1
  H  H291  1  0.353544  0.924396  0.675161  1
  H  H292  1  0.353544  0.424396  0.675161  1
  H  H293  1  0.995422  0.512672  0.655553  1
  H  H294  1  0.637300  0.100948  0.635945  1
  H  H295  1  0.006095  0.296424  0.663996  1
  H  H296  1  0.647973  0.884700  0.644388  1
  H  H297  1  0.289851  0.972976  0.624780  1
  H  H298  1  0.289851  0.472976  0.624780  1
  H  H299  1  0.006095  0.796424  0.663996  1
  H  H300  1  0.647973  0.384700  0.644388  1
  H  H301  1  0.988017  0.789044  0.649695  1
  H  H302  1  0.629894  0.377320  0.630088  1
  H  H303  1  0.346139  0.700768  0.669303  1
  H  H304  1  0.346139  0.200768  0.669303  1
  H  H305  1  0.988017  0.289044  0.649695  1
  H  H306  1  0.629894  0.877320  0.630088  1
  H  H307  1  0.998690  0.072796  0.658138  1
  H  H308  1  0.640567  0.661072  0.638530  1
  H  H309  1  0.282445  0.749348  0.618922  1
  H  H310  1  0.282445  0.249348  0.618922  1
  H  H311  1  0.998690  0.572796  0.658138  1
  H  H312  1  0.640567  0.161072  0.638530  1
  H  H313  1  0.174483  0.468534  0.665357  1
  H  H314  1  0.816361  0.056810  0.645749  1
  H  H315  1  0.458239  0.145086  0.626141  1
  H  H316  1  0.458239  0.645086  0.626141  1
  H  H317  1  0.174483  0.968534  0.665357  1
  H  H318  1  0.816361  0.556810  0.645749  1
  H  H319  1  0.185157  0.252286  0.673800  1
  H  H320  1  0.827034  0.840562  0.654192  1
  H  H321  1  0.468912  0.928838  0.634584  1
  H  H322  1  0.468912  0.428838  0.634584  1
  H  H323  1  0.185157  0.752286  0.673800  1
  H  H324  1  0.827034  0.340562  0.654192  1
  H  H325  1  0.167078  0.244906  0.659499  1
  H  H326  1  0.808955  0.833182  0.639891  1
  H  H327  1  0.450833  0.921458  0.620284  1
  H  H328  1  0.450833  0.421458  0.620284  1
  H  H329  1  0.167078  0.744906  0.659499  1
  H  H330  1  0.808955  0.333182  0.639891  1
  H  H331  1  0.177751  0.028659  0.667942  1
  H  H332  1  0.819629  0.616934  0.648334  1
  H  H333  1  0.461506  0.705210  0.628726  1
  H  H334  1  0.461506  0.205210  0.628726  1
  H  H335  1  0.177751  0.528659  0.667942  1
  H  H336  1  0.819629  0.116934  0.648334  1
  H  H337  1  0.069789  0.247844  0.714377  1
  H  H338  1  0.711667  0.836120  0.694769  1
  H  H339  1  0.427911  0.159567  0.733985  1
  H  H340  1  0.427911  0.659567  0.733985  1
  H  H341  1  0.069789  0.747844  0.714377  1
  H  H342  1  0.711667  0.336120  0.694769  1
  H  H343  1  0.080462  0.531596  0.722819  1
  H  H344  1  0.722340  0.119872  0.703211  1
  H  H345  1  0.364218  0.208148  0.683604  1
  H  H346  1  0.364218  0.708148  0.683604  1
  H  H347  1  0.080462  0.031596  0.722819  1
  H  H348  1  0.722340  0.619872  0.703211  1
  H  H349  1  0.062383  0.024217  0.708519  1
  H  H350  1  0.704261  0.612492  0.688911  1
  H  H351  1  0.420505  0.935941  0.728126  1
  H  H352  1  0.420505  0.435941  0.728126  1
  H  H353  1  0.062383  0.524217  0.708519  1
  H  H354  1  0.704261  0.112492  0.688911  1
  H  H355  1  0.073056  0.307969  0.716961  1
  H  H356  1  0.714934  0.896245  0.697353  1
  H  H357  1  0.356812  0.984521  0.677746  1
  H  H358  1  0.356812  0.484521  0.677746  1
  H  H359  1  0.073056  0.807969  0.716961  1
  H  H360  1  0.714934  0.396245  0.697353  1
  H  H361  1  0.248850  0.703706  0.724181  1
  H  H362  1  0.890728  0.291982  0.704573  1
  H  H363  1  0.532606  0.380258  0.684965  1
  H  H364  1  0.532606  0.880258  0.684965  1
  H  H365  1  0.248850  0.203706  0.724181  1
  H  H366  1  0.890728  0.791982  0.704573  1
  H  H367  1  0.259523  0.487458  0.732623  1
  H  H368  1  0.901401  0.075734  0.713015  1
  H  H369  1  0.543279  0.164010  0.693407  1
  H  H370  1  0.543279  0.664010  0.693407  1
  H  H371  1  0.259523  0.987458  0.732623  1
  H  H372  1  0.901401  0.575734  0.713015  1
  H  H373  1  0.241444  0.480079  0.718323  1
  H  H374  1  0.883322  0.068355  0.698715  1
  H  H375  1  0.525200  0.156630  0.679107  1
  H  H376  1  0.525200  0.656630  0.679107  1
  H  H377  1  0.241444  0.980079  0.718323  1
  H  H378  1  0.883322  0.568355  0.698715  1
  H  H379  1  0.252118  0.263831  0.726765  1
  H  H380  1  0.893995  0.852107  0.707157  1
  H  H381  1  0.535873  0.940383  0.687550  1
  H  H382  1  0.535873  0.440383  0.687550  1
  H  H383  1  0.252118  0.763831  0.726765  1
  H  H384  1  0.893995  0.352107  0.707157  1
