# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96422000
_cell_length_b   11.71378499
_cell_length_c   46.39627359
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.25337664
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H108
_cell_volume   2123.3609543
_cell_formula_units_Z   54
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  0.156274  0.984047  0.270715  1
  H  H2  1  0.023365  0.309005  0.277456  1
  H  H3  1  0.866080  0.637587  0.284936  1
  H  H4  1  0.704872  0.148308  0.273180  1
  H  H5  1  0.554241  0.473376  0.281055  1
  H  H6  1  0.392888  0.799331  0.289006  1
  H  H7  1  0.669961  0.965909  0.296259  1
  H  H8  1  0.518102  0.298789  0.305065  1
  H  H9  1  0.359408  0.626290  0.312743  1
  H  H10  1  0.230331  0.134620  0.300635  1
  H  H11  1  0.071168  0.462715  0.308471  1
  H  H12  1  0.908622  0.791703  0.315986  1
  H  H13  1  0.179604  0.956177  0.321811  1
  H  H14  1  0.018932  0.287679  0.330204  1
  H  H15  1  0.859059  0.617350  0.338006  1
  H  H16  1  0.746463  0.121635  0.325219  1
  H  H17  1  0.586389  0.452630  0.333883  1
  H  H18  1  0.422606  0.782286  0.341426  1
  H  H19  1  0.687739  0.946486  0.346860  1
  H  H20  1  0.525107  0.276775  0.355309  1
  H  H21  1  0.363230  0.607468  0.363379  1
  H  H22  1  0.259992  0.111738  0.350540  1
  H  H23  1  0.097935  0.442455  0.359016  1
  H  H24  1  0.934214  0.772539  0.366751  1
  H  H25  1  0.195916  0.936708  0.371945  1
  H  H26  1  0.031299  0.267036  0.380274  1
  H  H27  1  0.868502  0.597566  0.388371  1
  H  H28  1  0.771716  0.101894  0.375393  1
  H  H29  1  0.608385  0.432398  0.383980  1
  H  H30  1  0.444555  0.762783  0.391891  1
  H  H31  1  0.702959  0.927382  0.396875  1
  H  H32  1  0.537817  0.257286  0.405114  1
  H  H33  1  0.374203  0.587734  0.413300  1
  H  H34  1  0.281069  0.092457  0.400447  1
  H  H35  1  0.117279  0.422707  0.408841  1
  H  H36  1  0.953128  0.752951  0.416890  1
  H  H37  1  0.209455  0.917744  0.421773  1
  H  H38  1  0.044140  0.247803  0.429991  1
  H  H39  1  0.879998  0.577999  0.438161  1
  H  H40  1  0.789022  0.082903  0.425385  1
  H  H41  1  0.624720  0.412988  0.433745  1
  H  H42  1  0.460352  0.743196  0.441871  1
  H  H43  1  0.715546  0.908068  0.446603  1
  H  H44  1  0.550293  0.238152  0.454819  1
  H  H45  1  0.385830  0.568321  0.463030  1
  H  H46  1  0.295988  0.073244  0.450331  1
  H  H47  1  0.131404  0.403364  0.458618  1
  H  H48  1  0.966776  0.733489  0.466784  1
  H  H49  1  0.221441  0.898372  0.471460  1
  H  H50  1  0.056353  0.228497  0.479669  1
  H  H51  1  0.891705  0.558645  0.487892  1
  H  H52  1  0.802369  0.063549  0.475222  1
  H  H53  1  0.637680  0.393680  0.483485  1
  H  H54  1  0.472812  0.723801  0.491683  1
  H  H55  1  0.727312  0.888697  0.496317  1
  H  H56  1  0.562444  0.218817  0.504515  1
  H  H57  1  0.397754  0.548949  0.512779  1
  H  H58  1  0.308418  0.053853  0.500108  1
  H  H59  1  0.143770  0.384000  0.508331  1
  H  H60  1  0.978682  0.714125  0.516540  1
  H  H61  1  0.233348  0.879009  0.521216  1
  H  H62  1  0.068720  0.209133  0.529382  1
  H  H63  1  0.904135  0.539253  0.537669  1
  H  H64  1  0.814294  0.044177  0.524971  1
  H  H65  1  0.649831  0.374346  0.533181  1
  H  H66  1  0.484578  0.704429  0.541397  1
  H  H67  1  0.739771  0.869301  0.546130  1
  H  H68  1  0.575403  0.199509  0.554255  1
  H  H69  1  0.411101  0.529594  0.562615  1
  H  H70  1  0.320125  0.034498  0.549839  1
  H  H71  1  0.155983  0.364694  0.558009  1
  H  H72  1  0.990668  0.694754  0.566227  1
  H  H73  1  0.246995  0.859546  0.571110  1
  H  H74  1  0.082844  0.189791  0.579159  1
  H  H75  1  0.919054  0.520041  0.587553  1
  H  H76  1  0.825921  0.024763  0.574700  1
  H  H77  1  0.662306  0.355211  0.582886  1
  H  H78  1  0.497164  0.685116  0.591125  1
  H  H79  1  0.755569  0.849714  0.596109  1
  H  H80  1  0.591738  0.180100  0.604021  1
  H  H81  1  0.428408  0.510604  0.612608  1
  H  H82  1  0.331622  0.014931  0.599629  1
  H  H83  1  0.168825  0.345461  0.607726  1
  H  H84  1  0.004207  0.675789  0.616055  1
  H  H85  1  0.265909  0.839959  0.621249  1
  H  H86  1  0.102188  0.170043  0.628984  1
  H  H87  1  0.940131  0.500760  0.637460  1
  H  H88  1  0.836893  0.005030  0.624621  1
  H  H89  1  0.675017  0.335722  0.632692  1
  H  H90  1  0.512385  0.666012  0.641140  1
  H  H91  1  0.777517  0.830212  0.646574  1
  H  H92  1  0.613734  0.159867  0.654117  1
  H  H93  1  0.453660  0.490862  0.662782  1
  H  H94  1  0.341065  0.995147  0.649995  1
  H  H95  1  0.181191  0.324819  0.657796  1
  H  H96  1  0.020519  0.656320  0.666189  1
  H  H97  1  0.291501  0.820795  0.672014  1
  H  H98  1  0.128955  0.149782  0.679529  1
  H  H99  1  0.969793  0.477877  0.687365  1
  H  H100  1  0.840716  0.986207  0.675257  1
  H  H101  1  0.682021  0.313709  0.682935  1
  H  H102  1  0.530162  0.646589  0.691742  1
  H  H103  1  0.807236  0.813167  0.698994  1
  H  H104  1  0.645883  0.139122  0.706945  1
  H  H105  1  0.495251  0.464190  0.714820  1
  H  H106  1  0.334044  0.974910  0.703064  1
  H  H107  1  0.176759  0.303492  0.710544  1
  H  H108  1  0.043849  0.628451  0.717285  1
