# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.15767795
_cell_length_b   9.85772640
_cell_length_c   44.48923379
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   62.68744813
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H270
_cell_volume   5906.49680803
_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  0.599473  0.759674  0.321783  1
  H  H2  1  0.266139  0.759674  0.321783  1
  H  H3  1  0.441689  0.557450  0.317492  1
  H  H4  1  0.615283  0.348360  0.313478  1
  H  H5  1  0.932806  0.759674  0.321783  1
  H  H6  1  0.108355  0.557450  0.317492  1
  H  H7  1  0.281949  0.348360  0.313478  1
  H  H8  1  0.416264  0.362669  0.335651  1
  H  H9  1  0.582013  0.158378  0.331013  1
  H  H10  1  0.775022  0.557450  0.317492  1
  H  H11  1  0.948616  0.348360  0.313478  1
  H  H12  1  0.082931  0.362669  0.335651  1
  H  H13  1  0.248679  0.158378  0.331013  1
  H  H14  1  0.424036  0.969983  0.325406  1
  H  H15  1  0.749598  0.362669  0.335651  1
  H  H16  1  0.915346  0.158378  0.331013  1
  H  H17  1  0.090702  0.969983  0.325406  1
  H  H18  1  0.757369  0.969983  0.325406  1
  H  H19  1  0.732613  0.777244  0.345033  1
  H  H20  1  0.399280  0.777244  0.345033  1
  H  H21  1  0.524531  0.792723  0.369081  1
  H  H22  1  0.575283  0.567588  0.341167  1
  H  H23  1  0.065947  0.777244  0.345033  1
  H  H24  1  0.191198  0.792723  0.369081  1
  H  H25  1  0.241949  0.567588  0.341167  1
  H  H26  1  0.540591  0.384225  0.360112  1
  H  H27  1  0.714410  0.182659  0.354481  1
  H  H28  1  0.857865  0.792723  0.369081  1
  H  H29  1  0.908616  0.567588  0.341167  1
  H  H30  1  0.207257  0.384225  0.360112  1
  H  H31  1  0.381076  0.182659  0.354481  1
  H  H32  1  0.556746  0.974462  0.350760  1
  H  H33  1  0.873924  0.384225  0.360112  1
  H  H34  1  0.047743  0.182659  0.354481  1
  H  H35  1  0.223412  0.974462  0.350760  1
  H  H36  1  0.890079  0.974462  0.350760  1
  H  H37  1  0.683308  0.998293  0.373248  1
  H  H38  1  0.349975  0.998293  0.373248  1
  H  H39  1  0.476125  0.016192  0.396056  1
  H  H40  1  0.699953  0.590991  0.364133  1
  H  H41  1  0.016642  0.998293  0.373248  1
  H  H42  1  0.142792  0.016192  0.396056  1
  H  H43  1  0.366619  0.590991  0.364133  1
  H  H44  1  0.493081  0.608018  0.386636  1
  H  H45  1  0.668294  0.404530  0.381893  1
  H  H46  1  0.809458  0.016192  0.396056  1
  H  H47  1  0.033286  0.590991  0.364133  1
  H  H48  1  0.159748  0.608018  0.386636  1
  H  H49  1  0.334961  0.404530  0.381893  1
  H  H50  1  0.508442  0.199832  0.378110  1
  H  H51  1  0.826414  0.608018  0.386636  1
  H  H52  1  0.001627  0.404530  0.381893  1
  H  H53  1  0.175108  0.199832  0.378110  1
  H  H54  1  0.841775  0.199832  0.378110  1
  H  H55  1  0.634942  0.220487  0.400319  1
  H  H56  1  0.301609  0.220487  0.400319  1
  H  H57  1  0.426910  0.240062  0.422897  1
  H  H58  1  0.652056  0.812327  0.391184  1
  H  H59  1  -0.031724  0.220487  0.400319  1
  H  H60  1  0.093577  0.240062  0.422897  1
  H  H61  1  0.318722  0.812327  0.391184  1
  H  H62  1  0.443863  0.831664  0.413989  1
  H  H63  1  0.618788  0.627988  0.409210  1
  H  H64  1  0.760244  0.240062  0.422897  1
  H  H65  1  -0.014611  0.812327  0.391184  1
  H  H66  1  0.110530  0.831664  0.413989  1
  H  H67  1  0.285455  0.627988  0.409210  1
  H  H68  1  0.459561  0.424473  0.404920  1
  H  H69  1  0.777196  0.831664  0.413989  1
  H  H70  1  -0.047879  0.627988  0.409210  1
  H  H71  1  0.126227  0.424473  0.404920  1
  H  H72  1  0.792894  0.424473  0.404920  1
  H  H73  1  0.586016  0.443654  0.427045  1
  H  H74  1  0.252682  0.443654  0.427045  1
  H  H75  1  0.378262  0.463655  0.449895  1
  H  H76  1  0.602406  0.035503  0.418386  1
  H  H77  1  0.919349  0.443654  0.427045  1
  H  H78  1  0.044929  0.463655  0.449895  1
  H  H79  1  0.269072  0.035503  0.418386  1
  H  H80  1  0.394785  0.055422  0.440993  1
  H  H81  1  0.570226  0.850920  0.436374  1
  H  H82  1  0.711595  0.463655  0.449895  1
  H  H83  1  0.935739  0.035503  0.418386  1
  H  H84  1  0.061452  0.055422  0.440993  1
  H  H85  1  0.236893  0.850920  0.436374  1
  H  H86  1  0.411466  0.647282  0.431776  1
  H  H87  1  0.728119  0.055422  0.440993  1
  H  H88  1  0.903560  0.850920  0.436374  1
  H  H89  1  0.078132  0.647282  0.431776  1
  H  H90  1  0.744799  0.647282  0.431776  1
  H  H91  1  0.537454  0.666876  0.454402  1
  H  H92  1  0.204121  0.666876  0.454402  1
  H  H93  1  0.330083  0.686759  0.477047  1
  H  H94  1  0.553111  0.259619  0.445304  1
  H  H95  1  0.870788  0.666876  0.454402  1
  H  H96  1  -0.003251  0.686759  0.477047  1
  H  H97  1  0.219778  0.259619  0.445304  1
  H  H98  1  0.345604  0.279521  0.467962  1
  H  H99  1  0.520753  0.075210  0.463468  1
  H  H100  1  0.663416  0.686759  0.477047  1
  H  H101  1  0.886444  0.259619  0.445304  1
  H  H102  1  0.012271  0.279521  0.467962  1
  H  H103  1  0.187420  0.075210  0.463468  1
  H  H104  1  0.362518  0.870952  0.459016  1
  H  H105  1  0.678937  0.279521  0.467962  1
  H  H106  1  0.854086  0.075210  0.463468  1
  H  H107  1  0.029184  0.870952  0.459016  1
  H  H108  1  0.695851  0.870952  0.459016  1
  H  H109  1  0.488514  0.890735  0.481564  1
  H  H110  1  0.155181  0.890735  0.481564  1
  H  H111  1  0.281011  0.910692  0.504167  1
  H  H112  1  0.504659  0.482960  0.472424  1
  H  H113  1  0.821848  0.890735  0.481564  1
  H  H114  1  0.947678  0.910692  0.504167  1
  H  H115  1  0.171326  0.482960  0.472424  1
  H  H116  1  0.297288  0.502790  0.495122  1
  H  H117  1  0.471801  0.299060  0.490544  1
  H  H118  1  0.614344  0.910692  0.504167  1
  H  H119  1  0.837993  0.482960  0.472424  1
  H  H120  1  -0.036045  0.502790  0.495122  1
  H  H121  1  0.138467  0.299060  0.490544  1
  H  H122  1  0.313242  0.095157  0.486085  1
  H  H123  1  0.630622  0.502790  0.495122  1
  H  H124  1  0.805134  0.299060  0.490544  1
  H  H125  1  -0.020091  0.095157  0.486085  1
  H  H126  1  0.646576  0.095157  0.486085  1
  H  H127  1  0.439265  0.114857  0.508646  1
  H  H128  1  0.105932  0.114857  0.508646  1
  H  H129  1  0.231847  0.134727  0.531268  1
  H  H130  1  0.456121  0.706427  0.499631  1
  H  H131  1  0.772599  0.114857  0.508646  1
  H  H132  1  0.898514  0.134727  0.531268  1
  H  H133  1  0.122788  0.706427  0.499631  1
  H  H134  1  0.248703  0.726297  0.522253  1
  H  H135  1  0.423483  0.522343  0.517705  1
  H  H136  1  0.565181  0.134727  0.531268  1
  H  H137  1  0.789454  0.706427  0.499631  1
  H  H138  1  0.915370  0.726297  0.522253  1
  H  H139  1  0.090149  0.522343  0.517705  1
  H  H140  1  0.264486  0.318812  0.513193  1
  H  H141  1  0.582036  0.726297  0.522253  1
  H  H142  1  0.756816  0.522343  0.517705  1
  H  H143  1  0.931152  0.318812  0.513193  1
  H  H144  1  0.597819  0.318812  0.513193  1
  H  H145  1  0.390680  0.338365  0.535777  1
  H  H146  1  0.057347  0.338365  0.535777  1
  H  H147  1  0.183309  0.358195  0.558475  1
  H  H148  1  0.406958  0.930462  0.526732  1
  H  H149  1  0.724013  0.338365  0.535777  1
  H  H150  1  0.849976  0.358195  0.558475  1
  H  H151  1  0.073624  0.930462  0.526732  1
  H  H152  1  0.199454  0.950419  0.549334  1
  H  H153  1  0.374726  0.745998  0.544814  1
  H  H154  1  0.516642  0.358195  0.558475  1
  H  H155  1  0.740291  0.930462  0.526732  1
  H  H156  1  0.866121  0.950419  0.549334  1
  H  H157  1  0.041393  0.745998  0.544814  1
  H  H158  1  0.216168  0.542094  0.540355  1
  H  H159  1  0.532787  0.950419  0.549334  1
  H  H160  1  0.708059  0.745998  0.544814  1
  H  H161  1  0.882834  0.542094  0.540355  1
  H  H162  1  0.549501  0.542094  0.540355  1
  H  H163  1  0.342364  0.561634  0.562937  1
  H  H164  1  0.009031  0.561634  0.562937  1
  H  H165  1  0.134857  0.581535  0.585595  1
  H  H166  1  0.357886  0.154396  0.553851  1
  H  H167  1  0.675698  0.561634  0.562937  1
  H  H168  1  0.801524  0.581535  0.585595  1
  H  H169  1  0.024553  0.154396  0.553851  1
  H  H170  1  0.150514  0.174278  0.576497  1
  H  H171  1  0.325451  0.970202  0.571882  1
  H  H172  1  0.468191  0.581535  0.585595  1
  H  H173  1  0.691219  0.154396  0.553851  1
  H  H174  1  0.817181  0.174278  0.576497  1
  H  H175  1  -0.007882  0.970202  0.571882  1
  H  H176  1  0.167215  0.765945  0.567431  1
  H  H177  1  0.483847  0.174278  0.576497  1
  H  H178  1  0.658784  0.970202  0.571882  1
  H  H179  1  0.833882  0.765945  0.567431  1
  H  H180  1  0.500549  0.765945  0.567431  1
  H  H181  1  0.293183  0.785733  0.589906  1
  H  H182  1  -0.040150  0.785733  0.589906  1
  H  H183  1  0.085563  0.805651  0.612513  1
  H  H184  1  0.309706  0.377500  0.581004  1
  H  H185  1  0.626516  0.785733  0.589906  1
  H  H186  1  0.752229  0.805651  0.612513  1
  H  H187  1  -0.023627  0.377500  0.581004  1
  H  H188  1  0.101953  0.397501  0.603853  1
  H  H189  1  0.276503  0.193873  0.599122  1
  H  H190  1  0.418896  0.805651  0.612513  1
  H  H191  1  0.643040  0.377500  0.581004  1
  H  H192  1  0.768619  0.397501  0.603853  1
  H  H193  1  0.943170  0.193873  0.599122  1
  H  H194  1  0.117742  0.990234  0.594525  1
  H  H195  1  0.435286  0.397501  0.603853  1
  H  H196  1  0.609836  0.193873  0.599122  1
  H  H197  1  0.784409  0.990234  0.594525  1
  H  H198  1  0.451075  0.990234  0.594525  1
  H  H199  1  0.244105  0.009490  0.616910  1
  H  H200  1  0.910772  0.009490  0.616910  1
  H  H201  1  0.035913  0.028828  0.639715  1
  H  H202  1  0.261058  0.601092  0.608002  1
  H  H203  1  0.577439  0.009490  0.616910  1
  H  H204  1  0.702579  0.028828  0.639715  1
  H  H205  1  0.927725  0.601092  0.608002  1
  H  H206  1  0.053026  0.620667  0.630580  1
  H  H207  1  0.228408  0.416681  0.625979  1
  H  H208  1  0.369246  0.028828  0.639715  1
  H  H209  1  0.594392  0.601092  0.608002  1
  H  H210  1  0.719693  0.620667  0.630580  1
  H  H211  1  0.895074  0.416681  0.625979  1
  H  H212  1  0.069180  0.213167  0.621689  1
  H  H213  1  0.386359  0.620667  0.630580  1
  H  H214  1  0.561741  0.416681  0.625979  1
  H  H215  1  0.735847  0.213167  0.621689  1
  H  H216  1  0.402514  0.213167  0.621689  1
  H  H217  1  0.194888  0.233137  0.644263  1
  H  H218  1  0.861554  0.233137  0.644263  1
  H  H219  1  -0.011984  0.250163  0.666766  1
  H  H220  1  0.211843  0.824963  0.634843  1
  H  H221  1  0.528221  0.233137  0.644263  1
  H  H222  1  0.654682  0.250163  0.666766  1
  H  H223  1  0.878510  0.824963  0.634843  1
  H  H224  1  0.004660  0.842861  0.657651  1
  H  H225  1  0.179527  0.641323  0.652789  1
  H  H226  1  0.321349  0.250163  0.666766  1
  H  H227  1  0.545177  0.824963  0.634843  1
  H  H228  1  0.671327  0.842861  0.657651  1
  H  H229  1  0.846194  0.641323  0.652789  1
  H  H230  1  0.019674  0.436625  0.649006  1
  H  H231  1  0.337994  0.842861  0.657651  1
  H  H232  1  0.512860  0.641323  0.652789  1
  H  H233  1  0.686341  0.436625  0.649006  1
  H  H234  1  0.353008  0.436625  0.649006  1
  H  H235  1  0.147378  0.456929  0.670787  1
  H  H236  1  0.814044  0.456929  0.670787  1
  H  H237  1  0.112686  0.273567  0.689732  1
  H  H238  1  0.163437  0.048432  0.661817  1
  H  H239  1  0.480711  0.456929  0.670787  1
  H  H240  1  0.779352  0.273567  0.689732  1
  H  H241  1  0.830104  0.048432  0.661817  1
  H  H242  1  -0.044645  0.063911  0.685866  1
  H  H243  1  0.131223  0.866693  0.680139  1
  H  H244  1  0.446019  0.273567  0.689732  1
  H  H245  1  0.496771  0.048432  0.661817  1
  H  H246  1  0.622022  0.063911  0.685866  1
  H  H247  1  0.797889  0.866693  0.680139  1
  H  H248  1  -0.026441  0.658495  0.676417  1
  H  H249  1  0.288688  0.063911  0.685866  1
  H  H250  1  0.464556  0.866693  0.680139  1
  H  H251  1  0.640225  0.658495  0.676417  1
  H  H252  1  0.306892  0.658495  0.676417  1
  H  H253  1  0.271704  0.478486  0.695248  1
  H  H254  1  0.938371  0.478486  0.695248  1
  H  H255  1  0.072686  0.492795  0.717421  1
  H  H256  1  0.246280  0.283705  0.713406  1
  H  H257  1  0.605037  0.478486  0.695248  1
  H  H258  1  0.739352  0.492795  0.717421  1
  H  H259  1  0.912946  0.283705  0.713406  1
  H  H260  1  0.088496  0.081481  0.709116  1
  H  H261  1  0.263933  0.871171  0.705493  1
  H  H262  1  0.406019  0.492795  0.717421  1
  H  H263  1  0.579613  0.283705  0.713406  1
  H  H264  1  0.755162  0.081481  0.709116  1
  H  H265  1  0.930600  0.871171  0.705493  1
  H  H266  1  0.105956  0.682777  0.699886  1
  H  H267  1  0.421829  0.081481  0.709116  1
  H  H268  1  0.597266  0.871171  0.705493  1
  H  H269  1  0.772622  0.682777  0.699886  1
  H  H270  1  0.439289  0.682777  0.699886  1
