# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.05930368
_cell_length_b   9.87507707
_cell_length_c   44.42759308
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   73.30618966
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H270
_cell_volume   5908.21371038
_cell_formula_units_Z   135
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  0.533040  0.832852  0.313906  1
  H  H2  1  0.008771  1.005198  0.310380  1
  H  H3  1  0.188778  0.900257  0.311716  1
  H  H4  1  0.323322  0.626309  0.298960  1
  H  H5  1  0.364705  0.826492  0.315629  1
  H  H6  1  0.531256  0.441399  0.321592  1
  H  H7  1  0.729946  0.944044  0.330749  1
  H  H8  1  0.856189  0.681534  0.317177  1
  H  H9  1  0.903148  0.881019  0.335131  1
  H  H10  1  0.032023  0.599361  0.318870  1
  H  H11  1  0.166632  0.314410  0.304676  1
  H  H12  1  0.203858  0.516962  0.322152  1
  H  H13  1  0.346770  0.219582  0.306990  1
  H  H14  1  0.558621  0.046872  0.330914  1
  H  H15  1  0.707720  0.370874  0.324799  1
  H  H16  1  0.746043  0.573594  0.342014  1
  H  H17  1  0.885433  0.271664  0.325598  1
  H  H18  1  0.060927  0.192129  0.329211  1
  H  H19  1  0.576579  0.630243  0.341653  1
  H  H20  1  0.075722  0.790862  0.337412  1
  H  H21  1  0.244054  0.707102  0.343446  1
  H  H22  1  0.374291  0.422354  0.326844  1
  H  H23  1  0.413188  0.627104  0.345177  1
  H  H24  1  0.600345  0.239118  0.349673  1
  H  H25  1  0.789903  0.761677  0.363592  1
  H  H26  1  -0.012999  0.401417  0.302242  1
  H  H27  1  -0.041320  0.675475  0.364458  1
  H  H28  1  0.088154  0.398511  0.349168  1
  H  H29  1  0.232527  0.098042  0.330365  1
  H  H30  1  0.260556  0.306127  0.351034  1
  H  H31  1  0.402268  0.019019  0.335159  1
  H  H32  1  0.620760  0.831624  0.358791  1
  H  H33  1  0.773264  0.149620  0.348910  1
  H  H34  1  0.804821  0.360103  0.370379  1
  H  H35  1  0.943081  0.075855  0.356379  1
  H  H36  1  0.114515  0.987373  0.357215  1
  H  H37  1  0.633292  0.437202  0.370469  1
  H  H38  1  0.128664  0.592997  0.367713  1
  H  H39  1  0.299030  0.502749  0.370818  1
  H  H40  1  0.435336  0.223251  0.353608  1
  H  H41  1  0.471366  0.423982  0.371922  1
  H  H42  1  0.532010  0.219021  0.398061  1
  H  H43  1  0.841082  0.559912  0.391012  1
  H  H44  1  -0.021196  0.275147  0.373652  1
  H  H45  1  0.916242  0.479036  0.347183  1
  H  H46  1  0.151129  0.188038  0.375313  1
  H  H47  1  0.285607  0.900509  0.360469  1
  H  H48  1  0.322209  0.099910  0.378467  1
  H  H49  1  0.457063  0.820531  0.362906  1
  H  H50  1  0.671366  0.635700  0.388331  1
  H  H51  1  0.657226  0.032056  0.377279  1
  H  H52  1  0.695538  0.230718  0.395701  1
  H  H53  1  0.826830  0.960916  0.380616  1
  H  H54  1  -0.002450  0.870856  0.382830  1
  H  H55  1  0.567584  0.418261  0.417486  1
  H  H56  1  0.012719  0.475976  0.393582  1
  H  H57  1  0.184902  0.388814  0.395485  1
  H  H58  1  0.495278  0.018879  0.380160  1
  H  H59  1  0.358195  0.298036  0.397598  1
  H  H60  1  0.586277  0.021481  0.426679  1
  H  H61  1  0.730224  0.433098  0.415935  1
  H  H62  1  0.863406  0.161116  0.399314  1
  H  H63  1  0.901271  0.357842  0.418201  1
  H  H64  1  0.035631  0.070589  0.401736  1
  H  H65  1  0.166225  0.790240  0.386826  1
  H  H66  1  0.206231  0.987087  0.404308  1
  H  H67  1  0.336929  0.700248  0.389675  1
  H  H68  1  0.507815  0.623132  0.391068  1
  H  H69  1  0.709433  0.835446  0.407083  1
  H  H70  1  0.749128  0.033348  0.425238  1
  H  H71  1  0.880982  0.759349  0.409288  1
  H  H72  1  0.051364  0.672863  0.412266  1
  H  H73  1  0.455109  0.288196  0.443135  1
  H  H74  1  0.073150  0.269244  0.420309  1
  H  H75  1  0.244457  0.183953  0.422728  1
  H  H76  1  0.377142  0.896268  0.406954  1
  H  H77  1  0.416329  0.091896  0.424731  1
  H  H78  1  0.547829  0.822064  0.408703  1
  H  H79  1  0.625735  0.219021  0.444794  1
  H  H80  1  0.919090  0.958517  0.427400  1
  H  H81  1  0.787736  0.232527  0.444143  1
  H  H82  1  0.088785  0.871230  0.430928  1
  H  H83  1  0.222388  0.587766  0.414955  1
  H  H84  1  0.259438  0.787026  0.433663  1
  H  H85  1  0.395118  0.496125  0.416916  1
  H  H86  1  0.491178  0.487796  0.462418  1
  H  H87  1  0.602556  0.620746  0.436528  1
  H  H88  1  0.639841  0.822409  0.455444  1
  H  H89  1  0.764830  0.635287  0.435347  1
  H  H90  1  0.936030  0.558952  0.437872  1
  H  H91  1  0.509749  0.086645  0.471988  1
  H  H92  1  -0.041769  0.155614  0.446260  1
  H  H93  1  0.129017  0.067370  0.448948  1
  H  H94  1  0.430663  0.695482  0.436064  1
  H  H95  1  0.299741  0.982328  0.451411  1
  H  H96  1  0.526696  0.687488  0.481966  1
  H  H97  1  0.679292  0.021493  0.473922  1
  H  H98  1  0.803357  0.833906  0.453935  1
  H  H99  1  0.842478  0.032201  0.472562  1
  H  H100  1  -0.026354  0.758481  0.456578  1
  H  H101  1  0.108584  0.469580  0.440072  1
  H  H102  1  0.145042  0.669517  0.459367  1
  H  H103  1  0.281464  0.382564  0.441803  1
  H  H104  1  0.377966  0.375093  0.487391  1
  H  H105  1  0.662200  0.418861  0.463831  1
  H  H106  1  0.697570  0.620031  0.483092  1
  H  H107  1  0.824701  0.433360  0.463071  1
  H  H108  1  -0.004136  0.354321  0.465090  1
  H  H109  1  0.469978  0.891260  0.453985  1
  H  H110  1  0.012099  0.956095  0.475323  1
  H  H111  1  0.182713  0.867397  0.478215  1
  H  H112  1  0.317382  0.583046  0.461349  1
  H  H113  1  0.353838  0.782458  0.480740  1
  H  H114  1  0.414481  0.574453  0.506778  1
  H  H115  1  0.564216  0.885618  0.500914  1
  H  H116  1  0.860240  0.634231  0.482454  1
  H  H117  1  0.734425  0.821153  0.502207  1
  H  H118  1  0.031653  0.554978  0.484444  1
  H  H119  1  0.167574  0.264691  0.467359  1
  H  H120  1  0.204750  0.464174  0.486233  1
  H  H121  1  0.339219  0.177951  0.469251  1
  H  H122  1  0.432599  0.175317  0.516463  1
  H  H123  1  0.549587  0.283117  0.489924  1
  H  H124  1  0.587284  0.481527  0.508838  1
  H  H125  1  0.719044  0.219604  0.492340  1
  H  H126  1  0.881799  0.231677  0.491169  1
  H  H127  1  0.450211  0.775213  0.526562  1
  H  H128  1  0.897238  0.833826  0.501248  1
  H  H129  1  0.068159  0.754515  0.503790  1
  H  H130  1  0.301684  0.456351  0.531736  1
  H  H131  1  0.240546  0.664625  0.506041  1
  H  H132  1  0.473273  0.370445  0.534145  1
  H  H133  1  0.623357  0.681650  0.528368  1
  H  H134  1  0.757054  0.418685  0.511016  1
  H  H135  1  0.793542  0.618468  0.530163  1
  H  H136  1  0.919381  0.432103  0.510060  1
  H  H137  1  0.052093  0.152585  0.493470  1
  H  H138  1  0.090406  0.350606  0.511830  1
  H  H139  1  0.222748  0.062870  0.496150  1
  H  H140  1  0.393107  0.979097  0.498803  1
  H  H141  1  0.602867  0.083684  0.519347  1
  H  H142  1  0.643554  0.280217  0.537534  1
  H  H143  1  0.772318  0.021406  0.521499  1
  H  H144  1  0.935110  0.032848  0.519979  1
  H  H145  1  0.338276  0.656244  0.551066  1
  H  H146  1  -0.044070  0.633012  0.529194  1
  H  H147  1  0.128179  0.549162  0.530613  1
  H  H148  1  0.262044  0.259404  0.513819  1
  H  H149  1  0.224790  0.542174  0.575772  1
  H  H150  1  0.355278  0.257621  0.561125  1
  H  H151  1  0.511424  0.568582  0.552813  1
  H  H152  1  0.812766  0.219836  0.539880  1
  H  H153  1  0.682496  0.478629  0.556240  1
  H  H154  1  -0.025031  0.231846  0.538098  1
  H  H155  1  0.105750  0.952754  0.522642  1
  H  H156  1  0.145086  0.149440  0.540575  1
  H  H157  1  0.276874  0.863893  0.525667  1
  H  H158  1  0.373376  0.858053  0.571012  1
  H  H159  1  0.487531  0.975049  0.545405  1
  H  H160  1  0.525944  0.173117  0.563889  1
  H  H161  1  0.659795  0.882343  0.547589  1
  H  H162  1  0.830050  0.818917  0.549233  1
  H  H163  1  0.396887  0.452959  0.578234  1
  H  H164  1  0.851597  0.418214  0.558727  1
  H  H165  1  0.013397  0.431406  0.556615  1
  H  H166  1  0.315507  0.061393  0.543738  1
  H  H167  1  0.184722  0.345520  0.558183  1
  H  H168  1  0.410598  0.057770  0.589886  1
  H  H169  1  0.567331  0.368897  0.581710  1
  H  H170  1  0.696013  0.082236  0.567199  1
  H  H171  1  0.737333  0.278726  0.585227  1
  H  H172  1  0.865573  0.020502  0.569163  1
  H  H173  1  -0.008808  0.834548  0.548151  1
  H  H174  1  0.027602  0.033934  0.566787  1
  H  H175  1  0.163278  0.750332  0.550433  1
  H  H176  1  0.260767  0.743576  0.594659  1
  H  H177  1  0.546799  0.770707  0.572445  1
  H  H178  1  0.583660  0.970981  0.591952  1
  H  H179  1  0.719046  0.679865  0.575264  1
  H  H180  1  0.889161  0.616808  0.577577  1
  H  H181  1  0.276599  0.345860  0.605145  1
  H  H182  1  0.907109  0.218248  0.587199  1
  H  H183  1  0.066568  0.232711  0.584911  1
  H  H184  1  0.198771  0.951854  0.569892  1
  H  H185  1  0.236993  0.149761  0.588090  1
  H  H186  1  0.295176  0.946138  0.614511  1
  H  H187  1  0.447724  0.257610  0.608263  1
  H  H188  1  0.756486  0.879370  0.594427  1
  H  H189  1  0.618309  0.172703  0.611887  1
  H  H190  1  0.926427  0.816033  0.596356  1
  H  H191  1  0.051146  0.632687  0.574988  1
  H  H192  1  0.085106  0.837271  0.594361  1
  H  H193  1  0.146019  0.633243  0.619212  1
  H  H194  1  0.318541  0.541698  0.621524  1
  H  H195  1  0.435150  0.652140  0.596457  1
  H  H196  1  0.470332  0.854414  0.616544  1
  H  H197  1  0.605526  0.568589  0.600006  1
  H  H198  1  0.775516  0.481181  0.603960  1
  H  H199  1  0.331489  0.146398  0.633040  1
  H  H200  1  0.789273  0.080612  0.614900  1
  H  H201  1  -0.041082  0.019814  0.616654  1
  H  H202  1  0.182167  0.835613  0.637783  1
  H  H203  1  0.117560  0.040444  0.613574  1
  H  H204  1  0.357432  0.740605  0.639236  1
  H  H205  1  0.505883  0.056212  0.635990  1
  H  H206  1  0.642500  0.767400  0.619400  1
  H  H207  1  0.680009  0.965855  0.638346  1
  H  H208  1  0.814309  0.680915  0.622852  1
  H  H209  1  0.946382  0.415299  0.606152  1
  H  H210  1  -0.013307  0.611893  0.624069  1
  H  H211  1  0.105974  0.431668  0.602267  1
  H  H212  1  0.191680  0.438671  0.647469  1
  H  H213  1  0.488866  0.454572  0.625626  1
  H  H214  1  0.528250  0.652165  0.643832  1
  H  H215  1  0.658670  0.371953  0.628976  1
  H  H216  1  0.828500  0.278987  0.631301  1
  H  H217  1  0.215282  0.036891  0.657120  1
  H  H218  1  0.775335  0.971902  0.683390  1
  H  H219  1  0.855356  0.881359  0.641545  1
  H  H220  1  0.024276  0.809221  0.643025  1
  H  H221  1  0.057883  1.005336  0.661682  1
  H  H222  1  0.236569  0.636977  0.663546  1
  H  H223  1  0.391086  0.944218  0.659576  1
  H  H224  1  0.697544  0.570798  0.648583  1
  H  H225  1  0.563251  0.852372  0.663310  1
  H  H226  1  0.867448  0.477372  0.650459  1
  H  H227  1  -0.007139  0.222929  0.637951  1
  H  H228  1  0.033336  0.421523  0.656823  1
  H  H229  1  0.152303  0.239610  0.631467  1
  H  H230  1  0.248834  0.240354  0.674078  1
  H  H231  1  0.366053  0.348496  0.651454  1
  H  H232  1  0.407973  0.544838  0.668748  1
  H  H233  1  0.536572  0.261268  0.656021  1
  H  H234  1  0.708968  0.174897  0.658480  1
  H  H235  1  0.277353  0.833928  0.681229  1
  H  H236  1  0.735538  0.767772  0.667331  1
  H  H237  1  0.906913  0.677040  0.667940  1
  H  H238  1  0.079047  0.614060  0.672440  1
  H  H239  1  0.122668  0.807469  0.690743  1
  H  H240  1  0.275977  0.445095  0.692327  1
  H  H241  1  0.446938  0.739384  0.686530  1
  H  H242  1  0.581242  0.456353  0.673030  1
  H  H243  1  0.618431  0.654006  0.693178  1
  H  H244  1  0.755679  0.366017  0.674464  1
  H  H245  1  0.885852  0.093423  0.662811  1
  H  H246  1  0.923326  0.315371  0.688008  1
  H  H247  1  0.090942  0.201949  0.681488  1
  H  H248  1  0.307082  0.046694  0.701213  1
  H  H249  1  0.425117  0.146279  0.679164  1
  H  H250  1  0.449235  0.354875  0.699720  1
  H  H251  1  0.599756  0.052149  0.681470  1
  H  H252  1  0.699132  0.048562  0.727445  1
  H  H253  1  0.316152  0.634301  0.711499  1
  H  H254  1  0.798122  0.561637  0.696329  1
  H  H255  1  -0.027747  0.537879  0.707024  1
  H  H256  1  0.130536  0.386689  0.702552  1
  H  H257  1  0.149236  0.603540  0.719642  1
  H  H258  1  0.330782  0.248975  0.721664  1
  H  H259  1  0.500310  0.544968  0.717444  1
  H  H260  1  0.624462  0.260477  0.702565  1
  H  H261  1  0.685573  0.442802  0.719417  1
  H  H262  1  0.803405  0.179876  0.707055  1
  H  H263  1  0.950130  0.868910  0.689565  1
  H  H264  1  -0.017241  0.078545  0.707150  1
  H  H265  1  0.160388  1.001016  0.709752  1
  H  H266  1  0.350671  0.840026  0.727848  1
  H  H267  1  0.478787  0.936464  0.707520  1
  H  H268  1  0.516166  0.138796  0.725073  1
  H  H269  1  0.652272  0.852759  0.711530  1
  H  H270  1  0.830330  0.774593  0.713382  1
