# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18695925
_cell_length_b   8.65936089
_cell_length_c   51.35904346
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.07945946
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H104
_cell_volume   2140.05196821
_cell_formula_units_Z   52
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  0.637073  0.108310  0.242947  1
  H  H2  1  0.755619  0.329228  0.253371  1
  H  H3  1  0.497658  0.612978  0.228283  1
  H  H4  1  0.610107  0.847876  0.238719  1
  H  H5  1  1.187743  0.088076  0.246786  1
  H  H6  1  0.206609  0.347505  0.250927  1
  H  H7  1  1.026987  0.609767  0.230436  1
  H  H8  1  1.068436  0.866964  0.235194  1
  H  H9  1  0.502422  0.004332  0.281277  1
  H  H10  1  0.506085  0.262175  0.285717  1
  H  H11  1  0.337790  0.549719  0.266628  1
  H  H12  1  0.349617  0.804633  0.270793  1
  H  H13  1  0.926885  0.033615  0.278099  1
  H  H14  1  1.076279  0.234378  0.288687  1
  H  H15  1  0.773820  0.576720  0.264109  1
  H  H16  1  0.922947  0.777798  0.273620  1
  H  H17  1  0.232485  0.946055  0.311649  1
  H  H18  1  0.388533  0.142471  0.323254  1
  H  H19  1  1.082644  0.486870  0.296336  1
  H  H20  1  0.234963  0.686606  0.307877  1
  H  H21  1  0.812221  0.914803  0.315547  1
  H  H22  1  0.810663  0.173528  0.319678  1
  H  H23  1  0.658421  0.456661  0.299545  1
  H  H24  1  0.657147  0.717610  0.304219  1
  H  H25  1  1.122043  0.822717  0.349421  1
  H  H26  1  1.117474  0.081959  0.353441  1
  H  H27  1  0.969748  0.366343  0.332900  1
  H  H28  1  0.964248  0.626753  0.337557  1
  H  H29  1  0.539332  0.854977  0.345340  1
  H  H30  1  0.698745  0.049725  0.357435  1
  H  H31  1  0.389113  0.398810  0.329163  1
  H  H32  1  0.546537  0.594607  0.341401  1
  H  H33  1  0.847692  0.763095  0.378971  1
  H  H34  1  1.008035  0.957506  0.391290  1
  H  H35  1  0.695717  0.307875  0.362336  1
  H  H36  1  0.855474  0.502487  0.374926  1
  H  H37  1  0.431291  0.730399  0.383095  1
  H  H38  1  0.425161  -0.009795  0.387210  1
  H  H39  1  0.278428  0.275087  0.366357  1
  H  H40  1  0.272303  0.535249  0.370864  1
  H  H41  1  0.739989  0.638416  0.416694  1
  H  H42  1  0.733481  0.898389  0.420889  1
  H  H43  1  0.586594  0.183670  0.399911  1
  H  H44  1  0.580192  0.443661  0.404287  1
  H  H45  1  1.156167  0.671268  0.412535  1
  H  H46  1  0.316868  0.865507  0.425005  1
  H  H47  1  1.003160  0.216597  0.395783  1
  H  H48  1  1.163914  0.410751  0.408419  1
  H  H49  1  0.464496  0.579600  0.446078  1
  H  H50  1  0.625414  0.773713  0.458650  1
  H  H51  1  0.311269  0.125020  0.429369  1
  H  H52  1  0.472187  0.319133  0.441941  1
  H  H53  1  1.048371  0.546668  0.450239  1
  H  H54  1  1.041828  0.806646  0.454516  1
  H  H55  1  0.894855  0.092087  0.433503  1
  H  H56  1  0.888312  0.352065  0.437780  1
  H  H57  1  0.356491  0.455072  0.483732  1
  H  H58  1  0.350089  0.715063  0.488108  1
  H  H59  1  0.203202  0.000344  0.467130  1
  H  H60  1  1.196694  0.260317  0.471325  1
  H  H61  1  0.772769  0.487982  0.479599  1
  H  H62  1  0.933523  0.682136  0.492236  1
  H  H63  1  0.619815  0.033226  0.463014  1
  H  H64  1  0.780516  0.227466  0.475483  1
  H  H65  1  1.081209  0.396246  0.513093  1
  H  H66  1  0.240966  0.590859  0.525683  1
  H  H67  1  0.928648  0.941227  0.496729  1
  H  H68  1  1.088991  0.135639  0.509048  1
  H  H69  1  0.664380  0.363484  0.517154  1
  H  H70  1  0.658255  0.623646  0.521662  1
  H  H71  1  0.511522  0.908528  0.500809  1
  H  H72  1  0.505392  0.168334  0.504924  1
  H  H73  1  0.972435  0.271980  0.550462  1
  H  H74  1  0.966935  0.532391  0.555119  1
  H  H75  1  0.819209  0.816774  0.534578  1
  H  H76  1  0.814640  0.076017  0.538598  1
  H  H77  1  0.390146  0.304126  0.546618  1
  H  H78  1  0.547570  0.499923  0.558856  1
  H  H79  1  0.237938  0.849008  0.530584  1
  H  H80  1  0.397351  0.043756  0.542679  1
  H  H81  1  0.701720  0.212127  0.580142  1
  H  H82  1  0.854039  0.411863  0.591683  1
  H  H83  1  0.548150  0.756262  0.564765  1
  H  H84  1  0.704198  0.952678  0.576370  1
  H  H85  1  0.279536  0.181123  0.583800  1
  H  H86  1  0.278262  0.442072  0.588474  1
  H  H87  1  1.126020  0.725205  0.568341  1
  H  H88  1  1.124462  -0.016070  0.572472  1
  H  H89  1  0.587066  0.094101  0.617226  1
  H  H90  1  0.598893  0.349014  0.621390  1
  H  H91  1  0.430598  0.636558  0.602302  1
  H  H92  1  0.434261  0.894401  0.606742  1
  H  H93  1  1.013736  0.120935  0.614399  1
  H  H94  1  1.162863  0.322013  0.623910  1
  H  H95  1  0.860404  0.664355  0.599332  1
  H  H96  1  1.009798  0.865118  0.609920  1
  H  H97  1  0.326576  0.050857  0.649300  1
  H  H98  1  0.439025  0.285755  0.659735  1
  H  H99  1  1.181064  0.569505  0.634647  1
  H  H100  1  0.299610  0.790423  0.645072  1
  H  H101  1  0.868247  0.031769  0.652825  1
  H  H102  1  0.909696  0.288966  0.657583  1
  H  H103  1  0.730074  0.551228  0.637092  1
  H  H104  1  0.748940  0.810657  0.641233  1
