# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.03246550
_cell_length_b   11.34565963
_cell_length_c   50.16275220
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.23044973
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H396
_cell_volume   7945.83389881
_cell_formula_units_Z   198
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  0.856064  0.308431  0.255697  1
  H  H2  1  0.356064  0.308431  0.255697  1
  H  H3  1  0.516555  0.290217  0.269799  1
  H  H4  1  0.689397  0.975098  0.255697  1
  H  H5  1  0.689806  0.328786  0.242689  1
  H  H6  1  0.849889  0.956884  0.269799  1
  H  H7  1  1.016555  0.290217  0.269799  1
  H  H8  1  0.189397  0.975098  0.255697  1
  H  H9  1  0.189806  0.328786  0.242689  1
  H  H10  1  0.349889  0.956884  0.269799  1
  H  H11  1  0.522731  0.641764  0.255697  1
  H  H12  1  0.523139  -0.004547  0.242689  1
  H  H13  1  0.683222  0.623550  0.269799  1
  H  H14  1  0.856472  0.662120  0.242689  1
  H  H15  1  1.022731  0.641764  0.255697  1
  H  H16  1  1.023139  -0.004547  0.242689  1
  H  H17  1  0.183222  0.623550  0.269799  1
  H  H18  1  0.356472  0.662120  0.242689  1
  H  H19  1  0.772731  0.141764  0.255697  1
  H  H20  1  0.272731  0.141764  0.255697  1
  H  H21  1  0.433222  0.123550  0.269799  1
  H  H22  1  0.606064  0.808431  0.255697  1
  H  H23  1  0.606472  0.162120  0.242689  1
  H  H24  1  0.766555  0.790217  0.269799  1
  H  H25  1  0.933222  0.123550  0.269799  1
  H  H26  1  1.106064  0.808431  0.255697  1
  H  H27  1  1.106472  0.162120  0.242689  1
  H  H28  1  0.266555  0.790217  0.269799  1
  H  H29  1  0.439397  0.475098  0.255697  1
  H  H30  1  0.439806  0.828786  0.242689  1
  H  H31  1  0.599889  0.456884  0.269799  1
  H  H32  1  0.773139  0.495453  0.242689  1
  H  H33  1  0.939397  0.475098  0.255697  1
  H  H34  1  0.939806  0.828786  0.242689  1
  H  H35  1  1.099889  0.456884  0.269799  1
  H  H36  1  0.273139  0.495453  0.242689  1
  H  H37  1  0.827082  0.229997  0.297809  1
  H  H38  1  0.327082  0.229997  0.297809  1
  H  H39  1  0.485001  0.206427  0.311290  1
  H  H40  1  0.660415  0.896663  0.297809  1
  H  H41  1  0.670388  0.253994  0.284688  1
  H  H42  1  0.818334  0.873094  0.311290  1
  H  H43  1  0.985001  0.206427  0.311290  1
  H  H44  1  0.160415  0.896663  0.297809  1
  H  H45  1  0.170388  0.253994  0.284688  1
  H  H46  1  0.318334  0.873094  0.311290  1
  H  H47  1  0.493748  0.563330  0.297809  1
  H  H48  1  0.503722  0.920661  0.284688  1
  H  H49  1  0.651668  0.539760  0.311290  1
  H  H50  1  0.837055  0.587328  0.284688  1
  H  H51  1  0.993748  0.563330  0.297809  1
  H  H52  1  1.003722  0.920661  0.284688  1
  H  H53  1  0.151668  0.539760  0.311290  1
  H  H54  1  0.337055  0.587328  0.284688  1
  H  H55  1  0.743748  0.063330  0.297809  1
  H  H56  1  0.243748  0.063330  0.297809  1
  H  H57  1  0.401668  0.039760  0.311290  1
  H  H58  1  0.577082  0.729997  0.297809  1
  H  H59  1  0.587055  0.087328  0.284688  1
  H  H60  1  0.735001  0.706427  0.311290  1
  H  H61  1  0.901668  0.039760  0.311290  1
  H  H62  1  1.077082  0.729997  0.297809  1
  H  H63  1  1.087055  0.087328  0.284688  1
  H  H64  1  0.235001  0.706427  0.311290  1
  H  H65  1  0.410415  0.396663  0.297809  1
  H  H66  1  0.420388  0.753994  0.284688  1
  H  H67  1  0.568334  0.373094  0.311290  1
  H  H68  1  0.753722  0.420661  0.284688  1
  H  H69  1  0.910415  0.396663  0.297809  1
  H  H70  1  0.920388  0.753994  0.284688  1
  H  H71  1  1.068334  0.373094  0.311290  1
  H  H72  1  0.253722  0.420661  0.284688  1
  H  H73  1  0.797022  0.150926  0.339181  1
  H  H74  1  0.297022  0.150926  0.339181  1
  H  H75  1  0.454068  0.125935  0.352834  1
  H  H76  1  0.630356  0.817592  0.339181  1
  H  H77  1  0.640185  0.176817  0.325708  1
  H  H78  1  0.787401  0.792602  0.352834  1
  H  H79  1  0.954068  0.125935  0.352834  1
  H  H80  1  0.130356  0.817592  0.339181  1
  H  H81  1  0.140185  0.176817  0.325708  1
  H  H82  1  0.287401  0.792602  0.352834  1
  H  H83  1  0.463689  0.484259  0.339181  1
  H  H84  1  0.473518  0.843484  0.325708  1
  H  H85  1  0.620735  0.459269  0.352834  1
  H  H86  1  0.806852  0.510150  0.325708  1
  H  H87  1  0.963689  0.484259  0.339181  1
  H  H88  1  0.973518  0.843484  0.325708  1
  H  H89  1  0.120735  0.459269  0.352834  1
  H  H90  1  0.306852  0.510150  0.325708  1
  H  H91  1  0.713689  -0.015741  0.339181  1
  H  H92  1  0.213689  -0.015741  0.339181  1
  H  H93  1  0.370735  0.959269  0.352834  1
  H  H94  1  0.547022  0.650926  0.339181  1
  H  H95  1  0.556852  0.010150  0.325708  1
  H  H96  1  0.704068  0.625935  0.352834  1
  H  H97  1  0.870735  0.959269  0.352834  1
  H  H98  1  1.047022  0.650926  0.339181  1
  H  H99  1  1.056852  0.010150  0.325708  1
  H  H100  1  0.204068  0.625935  0.352834  1
  H  H101  1  0.380356  0.317592  0.339181  1
  H  H102  1  0.390185  0.676817  0.325708  1
  H  H103  1  0.537401  0.292602  0.352834  1
  H  H104  1  0.723518  0.343484  0.325708  1
  H  H105  1  0.880356  0.317592  0.339181  1
  H  H106  1  0.890185  0.676817  0.325708  1
  H  H107  1  1.037401  0.292602  0.352834  1
  H  H108  1  0.223518  0.343484  0.325708  1
  H  H109  1  0.766935  0.071939  0.380651  1
  H  H110  1  0.266935  0.071939  0.380651  1
  H  H111  1  0.423780  0.046178  0.394375  1
  H  H112  1  0.600269  0.738606  0.380651  1
  H  H113  1  0.610196  0.098095  0.366983  1
  H  H114  1  0.757113  0.712845  0.394375  1
  H  H115  1  0.923780  0.046178  0.394375  1
  H  H116  1  1.100269  0.738606  0.380651  1
  H  H117  1  1.110196  0.098095  0.366983  1
  H  H118  1  0.257113  0.712845  0.394375  1
  H  H119  1  0.433602  0.405273  0.380651  1
  H  H120  1  0.443529  0.764761  0.366983  1
  H  H121  1  0.590446  0.379511  0.394375  1
  H  H122  1  0.776863  0.431428  0.366983  1
  H  H123  1  0.933602  0.405273  0.380651  1
  H  H124  1  0.943529  0.764761  0.366983  1
  H  H125  1  1.090446  0.379511  0.394375  1
  H  H126  1  0.276863  0.431428  0.366983  1
  H  H127  1  0.683602  0.905273  0.380651  1
  H  H128  1  0.183602  0.905273  0.380651  1
  H  H129  1  0.340446  0.879511  0.394375  1
  H  H130  1  0.516935  0.571939  0.380651  1
  H  H131  1  0.526863  0.931428  0.366983  1
  H  H132  1  0.673780  0.546178  0.394375  1
  H  H133  1  0.840446  0.879511  0.394375  1
  H  H134  1  1.016935  0.571939  0.380651  1
  H  H135  1  1.026863  0.931428  0.366983  1
  H  H136  1  0.173780  0.546178  0.394375  1
  H  H137  1  0.350269  0.238606  0.380651  1
  H  H138  1  0.360196  0.598095  0.366983  1
  H  H139  1  0.507113  0.212845  0.394375  1
  H  H140  1  0.693529  0.264761  0.366983  1
  H  H141  1  0.850269  0.238606  0.380651  1
  H  H142  1  0.860196  0.598095  0.366983  1
  H  H143  1  1.007113  0.212845  0.394375  1
  H  H144  1  0.193529  0.264761  0.366983  1
  H  H145  1  0.736850  -0.007181  0.422111  1
  H  H146  1  0.236850  -0.007181  0.422111  1
  H  H147  1  0.393585  0.966735  0.435871  1
  H  H148  1  0.570184  0.659486  0.422111  1
  H  H149  1  0.580154  0.019076  0.408371  1
  H  H150  1  0.726918  0.633402  0.435871  1
  H  H151  1  0.893585  0.966735  0.435871  1
  H  H152  1  1.070184  0.659486  0.422111  1
  H  H153  1  1.080154  0.019076  0.408371  1
  H  H154  1  0.226918  0.633402  0.435871  1
  H  H155  1  0.403517  0.326153  0.422111  1
  H  H156  1  0.413487  0.685743  0.408371  1
  H  H157  1  0.560251  0.300068  0.435871  1
  H  H158  1  0.746821  0.352410  0.408371  1
  H  H159  1  0.903517  0.326153  0.422111  1
  H  H160  1  0.913487  0.685743  0.408371  1
  H  H161  1  1.060251  0.300068  0.435871  1
  H  H162  1  0.246821  0.352410  0.408371  1
  H  H163  1  0.653517  0.826153  0.422111  1
  H  H164  1  0.153517  0.826153  0.422111  1
  H  H165  1  0.310251  0.800068  0.435871  1
  H  H166  1  0.486850  0.492819  0.422111  1
  H  H167  1  0.496821  0.852410  0.408371  1
  H  H168  1  0.643585  0.466735  0.435871  1
  H  H169  1  0.810251  0.800068  0.435871  1
  H  H170  1  0.986850  0.492819  0.422111  1
  H  H171  1  0.996821  0.852410  0.408371  1
  H  H172  1  0.143585  0.466735  0.435871  1
  H  H173  1  0.320184  0.159486  0.422111  1
  H  H174  1  0.330154  0.519076  0.408371  1
  H  H175  1  0.476918  0.133402  0.435871  1
  H  H176  1  0.663487  0.185743  0.408371  1
  H  H177  1  0.820184  0.159486  0.422111  1
  H  H178  1  0.830154  0.519076  0.408371  1
  H  H179  1  0.976918  0.133402  0.435871  1
  H  H180  1  0.163487  0.185743  0.408371  1
  H  H181  1  0.706748  0.913665  0.463569  1
  H  H182  1  0.206748  0.913665  0.463569  1
  H  H183  1  0.363442  0.887438  0.477334  1
  H  H184  1  0.540081  0.580332  0.463569  1
  H  H185  1  0.550054  0.939893  0.449803  1
  H  H186  1  0.696775  0.554105  0.477334  1
  H  H187  1  0.863442  0.887438  0.477334  1
  H  H188  1  1.040081  0.580332  0.463569  1
  H  H189  1  1.050054  0.939893  0.449803  1
  H  H190  1  0.196775  0.554105  0.477334  1
  H  H191  1  0.373414  0.246999  0.463569  1
  H  H192  1  0.383387  0.606560  0.449803  1
  H  H193  1  0.530108  0.220771  0.477334  1
  H  H194  1  0.716721  0.273226  0.449803  1
  H  H195  1  0.873414  0.246999  0.463569  1
  H  H196  1  0.883387  0.606560  0.449803  1
  H  H197  1  1.030108  0.220771  0.477334  1
  H  H198  1  0.216721  0.273226  0.449803  1
  H  H199  1  0.623414  0.746999  0.463569  1
  H  H200  1  0.123414  0.746999  0.463569  1
  H  H201  1  0.280108  0.720771  0.477334  1
  H  H202  1  0.456748  0.413665  0.463569  1
  H  H203  1  0.466721  0.773226  0.449803  1
  H  H204  1  0.613442  0.387438  0.477334  1
  H  H205  1  0.780108  0.720771  0.477334  1
  H  H206  1  0.956748  0.413665  0.463569  1
  H  H207  1  0.966721  0.773226  0.449803  1
  H  H208  1  1.113442  0.387438  0.477334  1
  H  H209  1  0.290081  0.080332  0.463569  1
  H  H210  1  0.300054  0.439893  0.449803  1
  H  H211  1  0.446775  0.054105  0.477334  1
  H  H212  1  0.633387  0.106560  0.449803  1
  H  H213  1  0.790081  0.080332  0.463569  1
  H  H214  1  0.800054  0.439893  0.449803  1
  H  H215  1  0.946775  0.054105  0.477334  1
  H  H216  1  0.133387  0.106560  0.449803  1
  H  H217  1  0.676645  0.834512  0.505026  1
  H  H218  1  0.176645  0.834512  0.505026  1
  H  H219  1  0.333342  0.808254  0.518766  1
  H  H220  1  0.509979  0.501178  0.505026  1
  H  H221  1  0.519911  0.860596  0.491266  1
  H  H222  1  0.666675  0.474921  0.518766  1
  H  H223  1  0.833342  0.808254  0.518766  1
  H  H224  1  1.009979  0.501178  0.505026  1
  H  H225  1  1.019911  0.860596  0.491266  1
  H  H226  1  0.166675  0.474921  0.518766  1
  H  H227  1  0.343312  0.167845  0.505026  1
  H  H228  1  0.353244  0.527263  0.491266  1
  H  H229  1  0.500008  0.141588  0.518766  1
  H  H230  1  0.686578  0.193929  0.491266  1
  H  H231  1  0.843312  0.167845  0.505026  1
  H  H232  1  0.853244  0.527263  0.491266  1
  H  H233  1  1.000008  0.141588  0.518766  1
  H  H234  1  0.186578  0.193929  0.491266  1
  H  H235  1  0.593312  0.667845  0.505026  1
  H  H236  1  1.093312  0.667845  0.505026  1
  H  H237  1  0.250008  0.641588  0.518766  1
  H  H238  1  0.426645  0.334512  0.505026  1
  H  H239  1  0.436578  0.693929  0.491266  1
  H  H240  1  0.583342  0.308254  0.518766  1
  H  H241  1  0.750008  0.641588  0.518766  1
  H  H242  1  0.926645  0.334512  0.505026  1
  H  H243  1  0.936578  0.693929  0.491266  1
  H  H244  1  1.083342  0.308254  0.518766  1
  H  H245  1  0.259979  0.001178  0.505026  1
  H  H246  1  0.269911  0.360596  0.491266  1
  H  H247  1  0.416675  0.974921  0.518766  1
  H  H248  1  0.603244  0.027263  0.491266  1
  H  H249  1  0.759979  0.001178  0.505026  1
  H  H250  1  0.769911  0.360596  0.491266  1
  H  H251  1  0.916675  0.974921  0.518766  1
  H  H252  1  1.103244  0.027263  0.491266  1
  H  H253  1  0.646560  0.755392  0.546487  1
  H  H254  1  0.146560  0.755392  0.546487  1
  H  H255  1  0.303300  0.729236  0.560154  1
  H  H256  1  0.479893  0.422058  0.546487  1
  H  H257  1  0.489716  0.781153  0.532762  1
  H  H258  1  0.636633  0.395903  0.560154  1
  H  H259  1  0.803300  0.729236  0.560154  1
  H  H260  1  0.979893  0.422058  0.546487  1
  H  H261  1  0.989716  0.781153  0.532762  1
  H  H262  1  0.136633  0.395903  0.560154  1
  H  H263  1  0.313227  0.088725  0.546487  1
  H  H264  1  0.323049  0.447820  0.532762  1
  H  H265  1  0.469966  0.062569  0.560154  1
  H  H266  1  0.656383  0.114486  0.532762  1
  H  H267  1  0.813227  0.088725  0.546487  1
  H  H268  1  0.823049  0.447820  0.532762  1
  H  H269  1  0.969966  0.062569  0.560154  1
  H  H270  1  0.156383  0.114486  0.532762  1
  H  H271  1  0.563227  0.588725  0.546487  1
  H  H272  1  1.063227  0.588725  0.546487  1
  H  H273  1  0.219966  0.562569  0.560154  1
  H  H274  1  0.396560  0.255392  0.546487  1
  H  H275  1  0.406383  0.614486  0.532762  1
  H  H276  1  0.553300  0.229236  0.560154  1
  H  H277  1  0.719966  0.562569  0.560154  1
  H  H278  1  0.896560  0.255392  0.546487  1
  H  H279  1  0.906383  0.614486  0.532762  1
  H  H280  1  1.053300  0.229236  0.560154  1
  H  H281  1  0.229893  0.922058  0.546487  1
  H  H282  1  0.239716  0.281153  0.532762  1
  H  H283  1  0.386633  0.895903  0.560154  1
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  H  H395  1  0.807023  0.665211  0.684448  1
  H  H396  1  0.980274  0.703781  0.657339  1
