# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03369359
_cell_length_b   11.71968315
_cell_length_c   48.22335700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.11723672
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H162
_cell_volume   3407.68920339
_cell_formula_units_Z   81
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  0.688162  0.356146  0.291835  1
  H  H2  1  0.643900  0.043158  0.276121  1
  H  H3  1  0.717203  0.674712  0.310187  1
  H  H4  1  0.021496  0.022812  0.291835  1
  H  H5  1  0.977233  0.709825  0.276121  1
  H  H6  1  0.354829  0.689479  0.291835  1
  H  H7  1  0.050536  0.341379  0.310187  1
  H  H8  1  0.310567  0.376492  0.276121  1
  H  H9  1  0.383870  0.008046  0.310187  1
  H  H10  1  0.631530  0.176496  0.311100  1
  H  H11  1  0.618491  0.851805  0.292486  1
  H  H12  1  0.581866  0.541111  0.277739  1
  H  H13  1  0.964864  0.843162  0.311100  1
  H  H14  1  0.951824  0.518471  0.292486  1
  H  H15  1  0.298197  0.509829  0.311100  1
  H  H16  1  0.915199  0.207777  0.277739  1
  H  H17  1  0.285157  0.185138  0.292486  1
  H  H18  1  0.248533  0.874444  0.277739  1
  H  H19  1  0.765282  0.316248  0.341299  1
  H  H20  1  0.742569  0.996001  0.324957  1
  H  H21  1  0.787062  0.636603  0.357203  1
  H  H22  1  0.098615  0.982915  0.341299  1
  H  H23  1  0.075902  0.662668  0.324957  1
  H  H24  1  0.431949  0.649581  0.341299  1
  H  H25  1  0.120395  0.303270  0.357203  1
  H  H26  1  0.409235  0.329335  0.324957  1
  H  H27  1  0.453728  0.969937  0.357203  1
  H  H28  1  0.689096  0.135511  0.357897  1
  H  H29  1  0.669106  0.816439  0.342039  1
  H  H30  1  0.653156  0.493652  0.325920  1
  H  H31  1  0.022429  0.802177  0.357897  1
  H  H32  1  1.002439  0.483106  0.342039  1
  H  H33  1  0.355762  0.468844  0.357897  1
  H  H34  1  0.986489  0.160318  0.325920  1
  H  H35  1  0.335773  0.149773  0.342039  1
  H  H36  1  0.319823  0.826985  0.325920  1
  H  H37  1  0.827634  0.277368  0.388857  1
  H  H38  1  0.807867  0.956940  0.372897  1
  H  H39  1  0.847574  0.597800  0.404696  1
  H  H40  1  0.160967  0.944035  0.388857  1
  H  H41  1  0.141200  0.623606  0.372897  1
  H  H42  1  0.494300  0.610701  0.388857  1
  H  H43  1  0.180907  0.264466  0.404696  1
  H  H44  1  0.474533  0.290273  0.372897  1
  H  H45  1  0.514241  0.931133  0.404696  1
  H  H46  1  0.746341  0.097149  0.405181  1
  H  H47  1  0.726840  0.776996  0.389380  1
  H  H48  1  0.707744  0.456512  0.373607  1
  H  H49  1  0.079674  0.763816  0.405181  1
  H  H50  1  0.060173  0.443662  0.389380  1
  H  H51  1  0.413008  0.430483  0.405181  1
  H  H52  1  0.041077  0.123179  0.373607  1
  H  H53  1  0.393506  0.110329  0.389380  1
  H  H54  1  0.374410  0.789846  0.373607  1
  H  H55  1  0.886819  0.238452  0.436369  1
  H  H56  1  0.867216  0.918096  0.420516  1
  H  H57  1  0.906465  0.558836  0.452207  1
  H  H58  1  0.220153  0.905119  0.436369  1
  H  H59  1  0.200549  0.584763  0.420516  1
  H  H60  1  0.553486  0.571785  0.436369  1
  H  H61  1  0.239798  0.225503  0.452207  1
  H  H62  1  0.533883  0.251430  0.420516  1
  H  H63  1  0.573131  0.892169  0.452207  1
  H  H64  1  0.805139  0.058382  0.452644  1
  H  H65  1  0.785488  0.738042  0.436819  1
  H  H66  1  0.765907  0.417672  0.420999  1
  H  H67  1  0.138472  0.725049  0.452644  1
  H  H68  1  0.118821  0.404708  0.436819  1
  H  H69  1  0.471806  0.391716  0.452644  1
  H  H70  1  0.099241  0.084339  0.420999  1
  H  H71  1  0.452154  0.071375  0.436819  1
  H  H72  1  0.432574  0.751005  0.420999  1
  H  H73  1  0.945711  0.199548  0.483874  1
  H  H74  1  0.926086  0.879190  0.468039  1
  H  H75  1  0.965340  0.519921  0.499707  1
  H  H76  1  0.279044  0.866214  0.483874  1
  H  H77  1  0.259420  0.545857  0.468039  1
  H  H78  1  0.612378  0.532881  0.483874  1
  H  H79  1  0.298673  0.186588  0.499707  1
  H  H80  1  0.592753  0.212523  0.468039  1
  H  H81  1  0.632006  0.853254  0.499707  1
  H  H82  1  0.864025  0.019494  0.500142  1
  H  H83  1  0.844401  0.699136  0.484307  1
  H  H84  1  0.824772  0.378763  0.468475  1
  H  H85  1  0.197359  0.686161  0.500142  1
  H  H86  1  0.177734  0.365803  0.484307  1
  H  H87  1  0.530692  0.352827  0.500142  1
  H  H88  1  0.158106  0.045429  0.468475  1
  H  H89  1  0.511067  0.032469  0.484307  1
  H  H90  1  0.491439  0.712096  0.468475  1
  H  H91  1  1.004624  0.160642  0.531363  1
  H  H92  1  0.984973  0.840301  0.515537  1
  H  H93  1  0.024204  0.481012  0.547182  1
  H  H94  1  0.337957  0.827309  0.531363  1
  H  H95  1  0.318306  0.506968  0.515537  1
  H  H96  1  0.671291  0.493976  0.531363  1
  H  H97  1  0.357538  0.147678  0.547182  1
  H  H98  1  0.651640  0.173635  0.515537  1
  H  H99  1  0.690871  0.814345  0.547182  1
  H  H100  1  0.922896  0.980587  0.547665  1
  H  H101  1  0.903293  0.660232  0.531812  1
  H  H102  1  0.883647  0.339848  0.515974  1
  H  H103  1  0.256229  0.647254  0.547665  1
  H  H104  1  0.236626  0.326898  0.531812  1
  H  H105  1  0.589562  0.313921  0.547665  1
  H  H106  1  0.216981  0.006514  0.515974  1
  H  H107  1  0.569959  0.993565  0.531812  1
  H  H108  1  0.550314  0.673181  0.515974  1
  H  H109  1  0.063272  0.121688  0.578802  1
  H  H110  1  0.043771  0.801534  0.563000  1
  H  H111  1  0.082368  0.442171  0.594575  1
  H  H112  1  0.396606  0.788355  0.578802  1
  H  H113  1  0.377104  0.468201  0.563000  1
  H  H114  1  0.729939  0.455021  0.578802  1
  H  H115  1  0.415702  0.108838  0.594575  1
  H  H116  1  0.710438  0.134868  0.563000  1
  H  H117  1  0.749035  0.775505  0.594575  1
  H  H118  1  0.982245  0.941744  0.595285  1
  H  H119  1  0.962478  0.621316  0.579325  1
  H  H120  1  0.942538  0.300884  0.563485  1
  H  H121  1  0.315579  0.608411  0.595285  1
  H  H122  1  0.295811  0.287982  0.579325  1
  H  H123  1  0.648912  0.275077  0.595285  1
  H  H124  1  0.275871  0.967551  0.563485  1
  H  H125  1  0.629145  0.954649  0.579325  1
  H  H126  1  0.609205  0.634217  0.563485  1
  H  H127  1  0.121006  0.082244  0.626142  1
  H  H128  1  0.101016  0.763173  0.610284  1
  H  H129  1  0.136956  0.405032  0.642261  1
  H  H130  1  0.454339  0.748911  0.626142  1
  H  H131  1  0.434349  0.429840  0.610284  1
  H  H132  1  0.787672  0.415578  0.626142  1
  H  H133  1  0.470289  0.071699  0.642261  1
  H  H134  1  0.767683  0.096506  0.610284  1
  H  H135  1  0.803623  0.738365  0.642261  1
  H  H136  1  0.047543  0.902682  0.643225  1
  H  H137  1  0.024830  0.582436  0.626882  1
  H  H138  1  1.003050  0.262080  0.610978  1
  H  H139  1  0.380877  0.569349  0.643225  1
  H  H140  1  0.358163  0.249102  0.626882  1
  H  H141  1  0.714210  0.236016  0.643225  1
  H  H142  1  0.336384  0.928747  0.610978  1
  H  H143  1  0.691497  0.915769  0.626882  1
  H  H144  1  0.669717  0.595414  0.610978  1
  H  H145  1  0.171621  0.046879  0.675696  1
  H  H146  1  0.158582  0.722188  0.657081  1
  H  H147  1  0.208246  0.357573  0.690443  1
  H  H148  1  0.504955  0.713546  0.675696  1
  H  H149  1  0.491915  0.388855  0.657081  1
  H  H150  1  0.838288  0.380212  0.675696  1
  H  H151  1  0.541579  0.024240  0.690443  1
  H  H152  1  0.825248  0.055521  0.657081  1
  H  H153  1  0.874913  0.690906  0.690443  1
  H  H154  1  0.146212  0.855526  0.692061  1
  H  H155  1  0.101950  0.542538  0.676347  1
  H  H156  1  0.072909  0.223971  0.657995  1
  H  H157  1  0.479545  0.522192  0.692061  1
  H  H158  1  0.435283  0.209205  0.676347  1
  H  H159  1  0.812879  0.188859  0.692061  1
  H  H160  1  0.406242  0.890638  0.657995  1
  H  H161  1  0.768616  0.875872  0.676347  1
  H  H162  1  0.739576  0.557305  0.657995  1
