# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.06917766
_cell_length_b   22.80750830
_cell_length_c   48.95094575
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   77.47963520
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H432
_cell_volume   17513.7781349
_cell_formula_units_Z   216
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  0.154272  0.623615  0.354626  1
  H  H2  1  0.820939  0.456948  0.354626  1
  H  H3  1  0.912123  0.660601  0.307007  1
  H  H4  1  0.154272  0.123615  0.354626  1
  H  H5  1  0.245456  0.327267  0.307007  1
  H  H6  1  0.199864  0.475441  0.330817  1
  H  H7  1  0.487606  0.290282  0.354626  1
  H  H8  1  0.578790  0.493934  0.307007  1
  H  H9  1  0.533198  0.642108  0.330817  1
  H  H10  1  0.820939  0.956948  0.354626  1
  H  H11  1  0.912123  0.160601  0.307007  1
  H  H12  1  0.866531  0.308774  0.330817  1
  H  H13  1  0.245456  0.827267  0.307007  1
  H  H14  1  0.199864  0.975441  0.330817  1
  H  H15  1  0.487606  0.790282  0.354626  1
  H  H16  1  0.578790  0.993934  0.307007  1
  H  H17  1  0.533198  0.142108  0.330817  1
  H  H18  1  0.866531  0.808774  0.330817  1
  H  H19  1  0.114744  0.627081  0.288231  1
  H  H20  1  0.781411  0.460414  0.288231  1
  H  H21  1  0.735819  0.608588  0.312040  1
  H  H22  1  0.114744  0.127081  0.288231  1
  H  H23  1  0.069152  0.275254  0.312040  1
  H  H24  1  0.023561  0.423428  0.335850  1
  H  H25  1  0.448078  0.293747  0.288231  1
  H  H26  1  0.402486  0.441921  0.312040  1
  H  H27  1  0.356894  0.590095  0.335850  1
  H  H28  1  0.781411  0.960414  0.288231  1
  H  H29  1  0.735819  0.108588  0.312040  1
  H  H30  1  0.690227  0.256762  0.335850  1
  H  H31  1  0.069152  0.775254  0.312040  1
  H  H32  1  0.023561  0.923428  0.335850  1
  H  H33  1  0.448078  0.793747  0.288231  1
  H  H34  1  0.402486  0.941921  0.312040  1
  H  H35  1  0.356894  0.090095  0.335850  1
  H  H36  1  0.690227  0.756762  0.335850  1
  H  H37  1  0.078790  0.743934  0.307007  1
  H  H38  1  0.745456  0.577267  0.307007  1
  H  H39  1  0.699864  0.725441  0.330817  1
  H  H40  1  0.078790  0.243934  0.307007  1
  H  H41  1  0.033198  0.392108  0.330817  1
  H  H42  1  0.987606  0.540282  0.354626  1
  H  H43  1  0.412123  0.410601  0.307007  1
  H  H44  1  0.366531  0.558774  0.330817  1
  H  H45  1  0.320939  0.706948  0.354626  1
  H  H46  1  0.745456  0.077267  0.307007  1
  H  H47  1  0.699864  0.225441  0.330817  1
  H  H48  1  0.654272  0.373615  0.354626  1
  H  H49  1  0.033198  0.892108  0.330817  1
  H  H50  1  0.987606  0.040282  0.354626  1
  H  H51  1  0.412123  0.910601  0.307007  1
  H  H52  1  0.366531  0.058774  0.330817  1
  H  H53  1  0.320939  0.206948  0.354626  1
  H  H54  1  0.654272  0.873615  0.354626  1
  H  H55  1  0.281411  0.710414  0.288231  1
  H  H56  1  0.948078  0.543747  0.288231  1
  H  H57  1  0.902486  0.691921  0.312040  1
  H  H58  1  0.281411  0.210414  0.288231  1
  H  H59  1  0.235819  0.358588  0.312040  1
  H  H60  1  0.190227  0.506762  0.335850  1
  H  H61  1  0.614744  0.377081  0.288231  1
  H  H62  1  0.569152  0.525254  0.312040  1
  H  H63  1  0.523561  0.673428  0.335850  1
  H  H64  1  0.948078  0.043747  0.288231  1
  H  H65  1  0.902486  0.191921  0.312040  1
  H  H66  1  0.856894  0.340095  0.335850  1
  H  H67  1  0.235819  0.858588  0.312040  1
  H  H68  1  0.190227  0.006762  0.335850  1
  H  H69  1  0.614744  0.877081  0.288231  1
  H  H70  1  0.569152  0.025254  0.312040  1
  H  H71  1  0.523561  0.173428  0.335850  1
  H  H72  1  0.856894  0.840095  0.335850  1
  H  H73  1  0.017496  0.568137  0.426055  1
  H  H74  1  0.684163  0.401470  0.426055  1
  H  H75  1  0.775347  0.605122  0.378436  1
  H  H76  1  0.017496  0.068137  0.426055  1
  H  H77  1  0.108680  0.271789  0.378436  1
  H  H78  1  0.063088  0.419963  0.402246  1
  H  H79  1  0.350830  0.234803  0.426055  1
  H  H80  1  0.442014  0.438456  0.378436  1
  H  H81  1  0.396422  0.586630  0.402246  1
  H  H82  1  0.684163  0.901470  0.426055  1
  H  H83  1  0.775347  0.105122  0.378436  1
  H  H84  1  0.729755  0.253296  0.402246  1
  H  H85  1  0.108680  0.771789  0.378436  1
  H  H86  1  0.063088  0.919963  0.402246  1
  H  H87  1  0.350830  0.734803  0.426055  1
  H  H88  1  0.442014  0.938456  0.378436  1
  H  H89  1  0.396422  0.086630  0.402246  1
  H  H90  1  0.729755  0.753296  0.402246  1
  H  H91  1  0.977969  0.571602  0.359659  1
  H  H92  1  0.644635  0.404936  0.359659  1
  H  H93  1  0.599043  0.553110  0.383469  1
  H  H94  1  0.977969  0.071602  0.359659  1
  H  H95  1  0.932377  0.219776  0.383469  1
  H  H96  1  0.886785  0.367950  0.407278  1
  H  H97  1  0.311302  0.238269  0.359659  1
  H  H98  1  0.265710  0.386443  0.383469  1
  H  H99  1  0.220118  0.534617  0.407278  1
  H  H100  1  0.644635  0.904936  0.359659  1
  H  H101  1  0.599043  0.053110  0.383469  1
  H  H102  1  0.553451  0.201283  0.407278  1
  H  H103  1  0.932377  0.719776  0.383469  1
  H  H104  1  0.886785  0.867950  0.407278  1
  H  H105  1  0.311302  0.738269  0.359659  1
  H  H106  1  0.265710  0.886443  0.383469  1
  H  H107  1  0.220118  0.034617  0.407278  1
  H  H108  1  0.553451  0.701283  0.407278  1
  H  H109  1  0.942014  0.688456  0.378436  1
  H  H110  1  0.608680  0.521789  0.378436  1
  H  H111  1  0.563088  0.669963  0.402246  1
  H  H112  1  0.942014  0.188456  0.378436  1
  H  H113  1  0.896422  0.336630  0.402246  1
  H  H114  1  0.850830  0.484803  0.426055  1
  H  H115  1  0.275347  0.355122  0.378436  1
  H  H116  1  0.229755  0.503296  0.402246  1
  H  H117  1  0.184163  0.651470  0.426055  1
  H  H118  1  0.608680  0.021789  0.378436  1
  H  H119  1  0.563088  0.169963  0.402246  1
  H  H120  1  0.517496  0.318137  0.426055  1
  H  H121  1  0.896422  0.836630  0.402246  1
  H  H122  1  0.850830  0.984803  0.426055  1
  H  H123  1  0.275347  0.855122  0.378436  1
  H  H124  1  0.229755  0.003296  0.402246  1
  H  H125  1  0.184163  0.151470  0.426055  1
  H  H126  1  0.517496  0.818137  0.426055  1
  H  H127  1  0.144635  0.654936  0.359659  1
  H  H128  1  0.811302  0.488269  0.359659  1
  H  H129  1  0.765710  0.636443  0.383469  1
  H  H130  1  0.144635  0.154936  0.359659  1
  H  H131  1  0.099043  0.303110  0.383469  1
  H  H132  1  0.053451  0.451283  0.407278  1
  H  H133  1  0.477969  0.321602  0.359659  1
  H  H134  1  0.432377  0.469776  0.383469  1
  H  H135  1  0.386785  0.617950  0.407278  1
  H  H136  1  0.811302  0.988269  0.359659  1
  H  H137  1  0.765710  0.136443  0.383469  1
  H  H138  1  0.720118  0.284617  0.407278  1
  H  H139  1  0.099043  0.803110  0.383469  1
  H  H140  1  0.053451  0.951283  0.407278  1
  H  H141  1  0.477969  0.821602  0.359659  1
  H  H142  1  0.432377  0.969776  0.383469  1
  H  H143  1  0.386785  0.117950  0.407278  1
  H  H144  1  0.720118  0.784617  0.407278  1
  H  H145  1  0.880720  0.512658  0.497484  1
  H  H146  1  0.547387  0.345992  0.497484  1
  H  H147  1  0.638571  0.549644  0.449865  1
  H  H148  1  0.880720  0.012658  0.497484  1
  H  H149  1  0.971904  0.216311  0.449865  1
  H  H150  1  0.926312  0.364485  0.473674  1
  H  H151  1  0.214054  0.179325  0.497484  1
  H  H152  1  0.305238  0.382977  0.449865  1
  H  H153  1  0.259646  0.531151  0.473674  1
  H  H154  1  0.547387  0.845992  0.497484  1
  H  H155  1  0.638571  0.049644  0.449865  1
  H  H156  1  0.592979  0.197818  0.473674  1
  H  H157  1  0.971904  0.716311  0.449865  1
  H  H158  1  0.926312  0.864485  0.473674  1
  H  H159  1  0.214054  0.679325  0.497484  1
  H  H160  1  0.305238  0.882977  0.449865  1
  H  H161  1  0.259646  0.031151  0.473674  1
  H  H162  1  0.592979  0.697818  0.473674  1
  H  H163  1  0.841193  0.516124  0.431088  1
  H  H164  1  0.507859  0.349457  0.431088  1
  H  H165  1  0.462267  0.497631  0.454897  1
  H  H166  1  0.841193  0.016124  0.431088  1
  H  H167  1  0.795601  0.164298  0.454897  1
  H  H168  1  0.750009  0.312472  0.478707  1
  H  H169  1  0.174526  0.182791  0.431088  1
  H  H170  1  0.128934  0.330965  0.454897  1
  H  H171  1  0.083342  0.479139  0.478707  1
  H  H172  1  0.507859  0.849457  0.431088  1
  H  H173  1  0.462267  0.997631  0.454897  1
  H  H174  1  0.416675  0.145805  0.478707  1
  H  H175  1  0.795601  0.664298  0.454897  1
  H  H176  1  0.750009  0.812472  0.478707  1
  H  H177  1  0.174526  0.682791  0.431088  1
  H  H178  1  0.128934  0.830965  0.454897  1
  H  H179  1  0.083342  0.979139  0.478707  1
  H  H180  1  0.416675  0.645805  0.478707  1
  H  H181  1  0.805238  0.632977  0.449865  1
  H  H182  1  0.471904  0.466311  0.449865  1
  H  H183  1  0.426312  0.614485  0.473674  1
  H  H184  1  0.805238  0.132977  0.449865  1
  H  H185  1  0.759646  0.281151  0.473674  1
  H  H186  1  0.714054  0.429325  0.497484  1
  H  H187  1  0.138571  0.299644  0.449865  1
  H  H188  1  0.092979  0.447818  0.473674  1
  H  H189  1  0.047387  0.595992  0.497484  1
  H  H190  1  0.471904  0.966311  0.449865  1
  H  H191  1  0.426312  0.114485  0.473674  1
  H  H192  1  0.380720  0.262658  0.497484  1
  H  H193  1  0.759646  0.781151  0.473674  1
  H  H194  1  0.714054  0.929325  0.497484  1
  H  H195  1  0.138571  0.799644  0.449865  1
  H  H196  1  0.092979  0.947818  0.473674  1
  H  H197  1  0.047387  0.095992  0.497484  1
  H  H198  1  0.380720  0.762658  0.497484  1
  H  H199  1  0.007859  0.599457  0.431088  1
  H  H200  1  0.674526  0.432791  0.431088  1
  H  H201  1  0.628934  0.580965  0.454897  1
  H  H202  1  0.007859  0.099457  0.431088  1
  H  H203  1  0.962267  0.247631  0.454897  1
  H  H204  1  0.916675  0.395805  0.478707  1
  H  H205  1  0.341193  0.266124  0.431088  1
  H  H206  1  0.295601  0.414298  0.454897  1
  H  H207  1  0.250009  0.562472  0.478707  1
  H  H208  1  0.674526  0.932791  0.431088  1
  H  H209  1  0.628934  0.080965  0.454897  1
  H  H210  1  0.583342  0.229139  0.478707  1
  H  H211  1  0.962267  0.747631  0.454897  1
  H  H212  1  0.916675  0.895805  0.478707  1
  H  H213  1  0.341193  0.766124  0.431088  1
  H  H214  1  0.295601  0.914298  0.454897  1
  H  H215  1  0.250009  0.062472  0.478707  1
  H  H216  1  0.583342  0.729139  0.478707  1
  H  H217  1  0.743945  0.457180  0.568912  1
  H  H218  1  0.410611  0.290514  0.568912  1
  H  H219  1  0.501795  0.494166  0.521293  1
  H  H220  1  0.743945  0.957180  0.568912  1
  H  H221  1  0.835128  0.160832  0.521293  1
  H  H222  1  0.789537  0.309006  0.545103  1
  H  H223  1  0.077278  0.123847  0.568912  1
  H  H224  1  0.168462  0.327499  0.521293  1
  H  H225  1  0.122870  0.475673  0.545103  1
  H  H226  1  0.410611  0.790514  0.568912  1
  H  H227  1  0.501795  0.994166  0.521293  1
  H  H228  1  0.456203  0.142340  0.545103  1
  H  H229  1  0.835128  0.660832  0.521293  1
  H  H230  1  0.789537  0.809006  0.545103  1
  H  H231  1  0.077278  0.623847  0.568912  1
  H  H232  1  0.168462  0.827499  0.521293  1
  H  H233  1  0.122870  0.975673  0.545103  1
  H  H234  1  0.456203  0.642340  0.545103  1
  H  H235  1  0.704417  0.460646  0.502516  1
  H  H236  1  0.371083  0.293979  0.502516  1
  H  H237  1  0.325491  0.442153  0.526326  1
  H  H238  1  0.704417  0.960646  0.502516  1
  H  H239  1  0.658825  0.108820  0.526326  1
  H  H240  1  0.613233  0.256994  0.550135  1
  H  H241  1  0.037750  0.127312  0.502516  1
  H  H242  1  0.992158  0.275486  0.526326  1
  H  H243  1  0.946566  0.423660  0.550135  1
  H  H244  1  0.371083  0.793979  0.502516  1
  H  H245  1  0.325491  0.942153  0.526326  1
  H  H246  1  0.279899  0.090327  0.550135  1
  H  H247  1  0.658825  0.608820  0.526326  1
  H  H248  1  0.613233  0.756994  0.550135  1
  H  H249  1  0.037750  0.627312  0.502516  1
  H  H250  1  0.992158  0.775486  0.526326  1
  H  H251  1  0.946566  0.923660  0.550135  1
  H  H252  1  0.279899  0.590327  0.550135  1
  H  H253  1  0.668462  0.577499  0.521293  1
  H  H254  1  0.335128  0.410832  0.521293  1
  H  H255  1  0.289537  0.559006  0.545103  1
  H  H256  1  0.668462  0.077499  0.521293  1
  H  H257  1  0.622870  0.225673  0.545103  1
  H  H258  1  0.577278  0.373847  0.568912  1
  H  H259  1  0.001795  0.244166  0.521293  1
  H  H260  1  0.956203  0.392340  0.545103  1
  H  H261  1  0.910611  0.540514  0.568912  1
  H  H262  1  0.335128  0.910832  0.521293  1
  H  H263  1  0.289537  0.059006  0.545103  1
  H  H264  1  0.243945  0.207180  0.568912  1
  H  H265  1  0.622870  0.725673  0.545103  1
  H  H266  1  0.577278  0.873847  0.568912  1
  H  H267  1  0.001795  0.744166  0.521293  1
  H  H268  1  0.956203  0.892340  0.545103  1
  H  H269  1  0.910611  0.040514  0.568912  1
  H  H270  1  0.243945  0.707180  0.568912  1
  H  H271  1  0.871083  0.543979  0.502516  1
  H  H272  1  0.537750  0.377312  0.502516  1
  H  H273  1  0.492158  0.525486  0.526326  1
  H  H274  1  0.871083  0.043979  0.502516  1
  H  H275  1  0.825491  0.192153  0.526326  1
  H  H276  1  0.779899  0.340327  0.550135  1
  H  H277  1  0.204417  0.210646  0.502516  1
  H  H278  1  0.158825  0.358820  0.526326  1
  H  H279  1  0.113233  0.506994  0.550135  1
  H  H280  1  0.537750  0.877312  0.502516  1
  H  H281  1  0.492158  0.025486  0.526326  1
  H  H282  1  0.446566  0.173660  0.550135  1
  H  H283  1  0.825491  0.692153  0.526326  1
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  H  H432  1  0.173014  0.562704  0.692993  1
