# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.93671643
_cell_length_b   23.39614176
_cell_length_c   48.10863495
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.96889992
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H540
_cell_volume   11045.6861622
_cell_formula_units_Z   270
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  0.046273  0.808311  0.285477  1
  H  H2  1  0.712940  0.641645  0.285477  1
  H  H3  1  0.822138  0.818629  0.267151  1
  H  H4  1  0.046273  0.308311  0.285477  1
  H  H5  1  0.155471  0.485295  0.267151  1
  H  H6  1  0.104394  0.645701  0.275767  1
  H  H7  1  0.379607  0.474978  0.285477  1
  H  H8  1  0.488804  0.651962  0.267151  1
  H  H9  1  0.437727  0.812367  0.275767  1
  H  H10  1  0.712940  0.141645  0.285477  1
  H  H11  1  0.822138  0.318629  0.267151  1
  H  H12  1  0.771060  0.479034  0.275767  1
  H  H13  1  0.155471  0.985295  0.267151  1
  H  H14  1  0.104394  0.145701  0.275767  1
  H  H15  1  0.379607  0.974978  0.285477  1
  H  H16  1  0.488804  0.151962  0.267151  1
  H  H17  1  0.437727  0.312367  0.275767  1
  H  H18  1  0.771060  0.979034  0.275767  1
  H  H19  1  0.029685  0.902046  0.265969  1
  H  H20  1  0.696352  0.735379  0.265969  1
  H  H21  1  0.639468  0.897942  0.275265  1
  H  H22  1  0.029685  0.402046  0.265969  1
  H  H23  1  0.972802  0.564608  0.275265  1
  H  H24  1  0.923864  0.725661  0.284956  1
  H  H25  1  0.363018  0.568713  0.265969  1
  H  H26  1  0.306135  0.731275  0.275265  1
  H  H27  1  0.257197  0.892328  0.284956  1
  H  H28  1  0.696352  0.235379  0.265969  1
  H  H29  1  0.639468  0.397942  0.275265  1
  H  H30  1  0.590530  0.558994  0.284956  1
  H  H31  1  0.972802  0.064608  0.275265  1
  H  H32  1  0.923864  0.225661  0.284956  1
  H  H33  1  0.363018  0.068713  0.265969  1
  H  H34  1  0.306135  0.231275  0.275265  1
  H  H35  1  0.257197  0.392328  0.284956  1
  H  H36  1  0.590530  0.058994  0.284956  1
  H  H37  1  0.858030  0.801518  0.316304  1
  H  H38  1  0.524696  0.634852  0.316304  1
  H  H39  1  0.644257  0.808632  0.298126  1
  H  H40  1  0.858030  0.301518  0.316304  1
  H  H41  1  0.977590  0.475299  0.298126  1
  H  H42  1  0.919209  0.638553  0.307101  1
  H  H43  1  0.191363  0.468185  0.316304  1
  H  H44  1  0.310924  0.641966  0.298126  1
  H  H45  1  0.252542  0.805219  0.307101  1
  H  H46  1  0.524696  0.134852  0.316304  1
  H  H47  1  0.644257  0.308632  0.298126  1
  H  H48  1  0.585876  0.471886  0.307101  1
  H  H49  1  0.977590  0.975299  0.298126  1
  H  H50  1  0.919209  0.138553  0.307101  1
  H  H51  1  0.191363  0.968185  0.316304  1
  H  H52  1  0.310924  0.141966  0.298126  1
  H  H53  1  0.252542  0.305219  0.307101  1
  H  H54  1  0.585876  0.971886  0.307101  1
  H  H55  1  0.861750  0.891100  0.297613  1
  H  H56  1  0.528416  0.724433  0.297613  1
  H  H57  1  0.469385  0.888123  0.307154  1
  H  H58  1  0.861750  0.391100  0.297613  1
  H  H59  1  0.802718  0.554790  0.307154  1
  H  H60  1  0.744592  0.719075  0.316065  1
  H  H61  1  0.195083  0.557767  0.297613  1
  H  H62  1  0.136051  0.721456  0.307154  1
  H  H63  1  0.077925  0.885742  0.316065  1
  H  H64  1  0.528416  0.224433  0.297613  1
  H  H65  1  0.469385  0.388123  0.307154  1
  H  H66  1  0.411259  0.552408  0.316065  1
  H  H67  1  0.802718  0.054790  0.307154  1
  H  H68  1  0.744592  0.219075  0.316065  1
  H  H69  1  0.195083  0.057767  0.297613  1
  H  H70  1  0.136051  0.221456  0.307154  1
  H  H71  1  0.077925  0.385742  0.316065  1
  H  H72  1  0.411259  0.052408  0.316065  1
  H  H73  1  0.670637  0.794921  0.346095  1
  H  H74  1  0.337304  0.628254  0.346095  1
  H  H75  1  0.460149  0.800063  0.326953  1
  H  H76  1  0.670637  0.294921  0.346095  1
  H  H77  1  0.793482  0.466729  0.326953  1
  H  H78  1  0.732211  0.631248  0.336095  1
  H  H79  1  1.003971  0.461588  0.346095  1
  H  H80  1  0.126816  0.633396  0.326953  1
  H  H81  1  0.065545  0.797914  0.336095  1
  H  H82  1  0.337304  0.128254  0.346095  1
  H  H83  1  0.460149  0.300063  0.326953  1
  H  H84  1  0.398878  0.464581  0.336095  1
  H  H85  1  0.793482  0.966729  0.326953  1
  H  H86  1  0.732211  0.131248  0.336095  1
  H  H87  1  1.003971  0.961588  0.346095  1
  H  H88  1  0.126816  0.133396  0.326953  1
  H  H89  1  0.065545  0.297914  0.336095  1
  H  H90  1  0.398878  0.964581  0.336095  1
  H  H91  1  0.683517  0.883510  0.326602  1
  H  H92  1  0.350184  0.716844  0.326602  1
  H  H93  1  0.289014  0.881036  0.336194  1
  H  H94  1  0.683517  0.383510  0.326602  1
  H  H95  1  0.622347  0.547702  0.336194  1
  H  H96  1  0.562427  0.711582  0.346071  1
  H  H97  1  0.016850  0.550177  0.326602  1
  H  H98  1  0.955681  0.714369  0.336194  1
  H  H99  1  0.895761  0.878248  0.346071  1
  H  H100  1  0.350184  0.216844  0.326602  1
  H  H101  1  0.289014  0.381036  0.336194  1
  H  H102  1  0.229094  0.544915  0.346071  1
  H  H103  1  0.622347  0.047702  0.336194  1
  H  H104  1  0.562427  0.211582  0.346071  1
  H  H105  1  0.016850  0.050177  0.326602  1
  H  H106  1  0.955681  0.214369  0.336194  1
  H  H107  1  0.895761  0.378248  0.346071  1
  H  H108  1  0.229094  0.044915  0.346071  1
  H  H109  1  0.483782  0.787809  0.375264  1
  H  H110  1  0.150449  0.621142  0.375264  1
  H  H111  1  0.274191  0.792770  0.355881  1
  H  H112  1  0.483782  0.287809  0.375264  1
  H  H113  1  0.607525  0.459437  0.355881  1
  H  H114  1  0.545999  0.623627  0.365371  1
  H  H115  1  0.817116  0.454476  0.375264  1
  H  H116  1  0.940858  0.626104  0.355881  1
  H  H117  1  0.879333  0.790293  0.365371  1
  H  H118  1  0.150449  0.121142  0.375264  1
  H  H119  1  0.274191  0.292770  0.355881  1
  H  H120  1  0.212666  0.456960  0.365371  1
  H  H121  1  0.607525  0.959437  0.355881  1
  H  H122  1  0.545999  0.123627  0.365371  1
  H  H123  1  0.817116  0.954476  0.375264  1
  H  H124  1  0.940858  0.126104  0.355881  1
  H  H125  1  0.879333  0.290293  0.365371  1
  H  H126  1  0.212666  0.956960  0.365371  1
  H  H127  1  0.500602  0.876094  0.355970  1
  H  H128  1  0.167268  0.709428  0.355970  1
  H  H129  1  0.105995  0.873613  0.365562  1
  H  H130  1  0.500602  0.376094  0.355970  1
  H  H131  1  0.439329  0.540280  0.365562  1
  H  H132  1  0.377764  0.704476  0.375457  1
  H  H133  1  0.833935  0.542761  0.355970  1
  H  H134  1  0.772662  0.706946  0.365562  1
  H  H135  1  0.711097  0.871143  0.375457  1
  H  H136  1  0.167268  0.209428  0.355970  1
  H  H137  1  0.105995  0.373613  0.365562  1
  H  H138  1  0.044431  0.537809  0.375457  1
  H  H139  1  0.439329  0.040280  0.365562  1
  H  H140  1  0.377764  0.204476  0.375457  1
  H  H141  1  0.833935  0.042761  0.355970  1
  H  H142  1  0.772662  0.206946  0.365562  1
  H  H143  1  0.711097  0.371143  0.375457  1
  H  H144  1  0.044431  0.037809  0.375457  1
  H  H145  1  0.297601  0.780593  0.404343  1
  H  H146  1  0.964267  0.613927  0.404343  1
  H  H147  1  0.088147  0.785582  0.384860  1
  H  H148  1  0.297601  0.280593  0.404343  1
  H  H149  1  0.421481  0.452249  0.384860  1
  H  H150  1  0.359719  0.616353  0.394567  1
  H  H151  1  0.630934  0.447260  0.404343  1
  H  H152  1  0.754814  0.618915  0.384860  1
  H  H153  1  0.693052  0.783019  0.394567  1
  H  H154  1  0.964267  0.113927  0.404343  1
  H  H155  1  0.088147  0.285582  0.384860  1
  H  H156  1  0.026386  0.449686  0.394567  1
  H  H157  1  0.421481  0.952249  0.384860  1
  H  H158  1  0.359719  0.116353  0.394567  1
  H  H159  1  0.630934  0.947260  0.404343  1
  H  H160  1  0.754814  0.118915  0.384860  1
  H  H161  1  0.693052  0.283019  0.394567  1
  H  H162  1  0.026386  0.949686  0.394567  1
  H  H163  1  0.315911  0.868759  0.385205  1
  H  H164  1  0.982578  0.702092  0.385205  1
  H  H165  1  0.920871  0.866297  0.394989  1
  H  H166  1  0.315911  0.368759  0.385205  1
  H  H167  1  0.254205  0.532963  0.394989  1
  H  H168  1  0.192289  0.697221  0.404769  1
  H  H169  1  0.649245  0.535425  0.385205  1
  H  H170  1  0.587538  0.699630  0.394989  1
  H  H171  1  0.525622  0.863887  0.404769  1
  H  H172  1  0.982578  0.202092  0.385205  1
  H  H173  1  0.920871  0.366297  0.394989  1
  H  H174  1  0.858955  0.530554  0.404769  1
  H  H175  1  0.254205  0.032963  0.394989  1
  H  H176  1  0.192289  0.197221  0.404769  1
  H  H177  1  0.649245  0.035425  0.385205  1
  H  H178  1  0.587538  0.199630  0.394989  1
  H  H179  1  0.525622  0.363887  0.404769  1
  H  H180  1  0.858955  0.030554  0.404769  1
  H  H181  1  0.111836  0.773339  0.433524  1
  H  H182  1  0.778503  0.606672  0.433524  1
  H  H183  1  0.902383  0.778195  0.414032  1
  H  H184  1  0.111836  0.273339  0.433524  1
  H  H185  1  0.235716  0.444862  0.414032  1
  H  H186  1  0.173806  0.609084  0.423808  1
  H  H187  1  0.445170  0.440005  0.433524  1
  H  H188  1  0.569049  0.611528  0.414032  1
  H  H189  1  0.507139  0.775751  0.423808  1
  H  H190  1  0.778503  0.106672  0.433524  1
  H  H191  1  0.902383  0.278195  0.414032  1
  H  H192  1  0.840472  0.442418  0.423808  1
  H  H193  1  0.235716  0.944862  0.414032  1
  H  H194  1  0.173806  0.109084  0.423808  1
  H  H195  1  0.445170  0.940005  0.433524  1
  H  H196  1  0.569049  0.111528  0.414032  1
  H  H197  1  0.507139  0.275751  0.423808  1
  H  H198  1  0.840472  0.942418  0.423808  1
  H  H199  1  0.130455  0.861449  0.414486  1
  H  H200  1  0.797121  0.694783  0.414486  1
  H  H201  1  0.735222  0.858984  0.424270  1
  H  H202  1  0.130455  0.361449  0.414486  1
  H  H203  1  0.068555  0.525651  0.424270  1
  H  H204  1  0.006632  0.689892  0.434019  1
  H  H205  1  0.463788  0.528116  0.414486  1
  H  H206  1  0.401889  0.692318  0.424270  1
  H  H207  1  0.339965  0.856559  0.434019  1
  H  H208  1  0.797121  0.194783  0.414486  1
  H  H209  1  0.735222  0.358984  0.424270  1
  H  H210  1  0.673298  0.523225  0.434019  1
  H  H211  1  0.068555  0.025651  0.424270  1
  H  H212  1  0.006632  0.189892  0.434019  1
  H  H213  1  0.463788  0.028116  0.414486  1
  H  H214  1  0.401889  0.192318  0.424270  1
  H  H215  1  0.339965  0.356559  0.434019  1
  H  H216  1  0.673298  0.023225  0.434019  1
  H  H217  1  0.926154  0.766017  0.462754  1
  H  H218  1  0.592821  0.599351  0.462754  1
  H  H219  1  0.716651  0.770885  0.443261  1
  H  H220  1  0.926154  0.266017  0.462754  1
  H  H221  1  0.049985  0.437552  0.443261  1
  H  H222  1  0.988048  0.601782  0.453020  1
  H  H223  1  0.259488  0.432684  0.462754  1
  H  H224  1  0.383318  0.604219  0.443261  1
  H  H225  1  0.321382  0.768449  0.453020  1
  H  H226  1  0.592821  0.099351  0.462754  1
  H  H227  1  0.716651  0.270885  0.443261  1
  H  H228  1  0.654715  0.435115  0.453020  1
  H  H229  1  0.049985  0.937552  0.443261  1
  H  H230  1  0.988048  0.101782  0.453020  1
  H  H231  1  0.259488  0.932684  0.462754  1
  H  H232  1  0.383318  0.104219  0.443261  1
  H  H233  1  0.321382  0.268449  0.453020  1
  H  H234  1  0.654715  0.935115  0.453020  1
  H  H235  1  0.944752  0.854121  0.443774  1
  H  H236  1  0.611419  0.687454  0.443774  1
  H  H237  1  0.549496  0.851688  0.453535  1
  H  H238  1  0.944752  0.354121  0.443774  1
  H  H239  1  0.882829  0.518354  0.453535  1
  H  H240  1  0.820931  0.682583  0.463274  1
  H  H241  1  0.278086  0.520787  0.443774  1
  H  H242  1  0.216162  0.685021  0.453535  1
  H  H243  1  0.154264  0.849250  0.463274  1
  H  H244  1  0.611419  0.187454  0.443774  1
  H  H245  1  0.549496  0.351688  0.453535  1
  H  H246  1  0.487598  0.515916  0.463274  1
  H  H247  1  0.882829  0.018354  0.453535  1
  H  H248  1  0.820931  0.182583  0.463274  1
  H  H249  1  0.278086  0.020787  0.443774  1
  H  H250  1  0.216162  0.185021  0.453535  1
  H  H251  1  0.154264  0.349250  0.463274  1
  H  H252  1  0.487598  0.015916  0.463274  1
  H  H253  1  0.740434  0.758710  0.492003  1
  H  H254  1  0.407101  0.592044  0.492003  1
  H  H255  1  0.530918  0.763581  0.472512  1
  H  H256  1  0.740434  0.258710  0.492003  1
  H  H257  1  0.864251  0.430248  0.472512  1
  H  H258  1  0.802337  0.594482  0.482257  1
  H  H259  1  0.073768  0.425377  0.492003  1
  H  H260  1  0.197585  0.596914  0.472512  1
  H  H261  1  0.135670  0.761149  0.482257  1
  H  H262  1  0.407101  0.092044  0.492003  1
  H  H263  1  0.530918  0.263581  0.472512  1
  H  H264  1  0.469003  0.427815  0.482257  1
  H  H265  1  0.864251  0.930248  0.472512  1
  H  H266  1  0.802337  0.094482  0.482257  1
  H  H267  1  0.073768  0.925377  0.492003  1
  H  H268  1  0.197585  0.096914  0.472512  1
  H  H269  1  0.135670  0.261149  0.482257  1
  H  H270  1  0.469003  0.927815  0.482257  1
  H  H271  1  0.759020  0.846808  0.473034  1
  H  H272  1  0.425687  0.680141  0.473034  1
  H  H273  1  0.363784  0.844369  0.482780  1
  H  H274  1  0.759020  0.346808  0.473034  1
  H  H275  1  0.697118  0.511036  0.482780  1
  H  H276  1  0.635203  0.675271  0.492525  1
  H  H277  1  0.092353  0.513475  0.473034  1
  H  H278  1  0.030451  0.677703  0.482780  1
  H  H279  1  0.968537  0.841937  0.492525  1
  H  H280  1  0.425687  0.180141  0.473034  1
  H  H281  1  0.363784  0.344369  0.482780  1
  H  H282  1  0.301870  0.508604  0.492525  1
  H  H283  1  0.697118  0.011036  0.482780  1
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  H  H377  1  0.578583  0.239221  0.570048  1
  H  H378  1  0.911916  0.905888  0.570048  1
  H  H379  1  0.201854  0.824925  0.560694  1
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  H  H394  1  0.473069  0.155832  0.570470  1
  H  H395  1  0.411307  0.319936  0.580177  1
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  H  H397  1  0.998853  0.729424  0.609067  1
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  H  H401  1  0.121690  0.401042  0.589580  1
  H  H402  1  0.060126  0.565238  0.599475  1
  H  H403  1  0.332186  0.396090  0.609067  1
  H  H404  1  0.455024  0.567709  0.589580  1
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  H  H420  1  0.891930  0.646081  0.609156  1
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  H  H423  1  0.225263  0.812748  0.609156  1
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  H  H433  1  0.815937  0.722008  0.638435  1
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  H  H435  1  0.603694  0.727270  0.618966  1
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  H  H457  1  0.162150  0.477264  0.618942  1
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  H  H459  1  0.039305  0.805456  0.638084  1
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  H  H463  1  0.767243  0.974270  0.628942  1
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  H  H469  1  0.637705  0.714418  0.667424  1
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  H  H471  1  0.421529  0.719777  0.648972  1
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  H  H473  1  0.754862  0.386443  0.648972  1
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  H  H477  1  0.030070  0.717395  0.657883  1
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  H  H485  1  0.030070  0.217395  0.657883  1
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  H  H491  1  0.580245  0.466965  0.657936  1
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  H  H509  1  0.575591  0.379857  0.680081  1
  H  H510  1  0.526653  0.540910  0.689772  1
  H  H511  1  0.803103  0.370139  0.699068  1
  H  H512  1  0.908924  0.546524  0.680081  1
  H  H513  1  0.859986  0.707576  0.689772  1
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  H  H516  1  0.193319  0.374243  0.689772  1
  H  H517  1  0.575591  0.879857  0.680081  1
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  H  H520  1  0.908924  0.046524  0.680081  1
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  H  H523  1  0.453181  0.797207  0.679560  1
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  H  H525  1  0.061728  0.793151  0.689270  1
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  H  H527  1  0.395061  0.459818  0.689270  1
  H  H528  1  0.343983  0.620223  0.697885  1
  H  H529  1  0.786514  0.463873  0.679560  1
  H  H530  1  0.728394  0.626484  0.689270  1
  H  H531  1  0.677317  0.786889  0.697885  1
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  H  H538  1  0.728394  0.126484  0.689270  1
  H  H539  1  0.677317  0.286889  0.697885  1
  H  H540  1  0.010650  0.953556  0.697885  1
