# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.30124115
_cell_length_b   24.32077167
_cell_length_c   59.26053610
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.87671241
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H156
_cell_volume   3309.10222787
_cell_formula_units_Z   78
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  0.455707  0.037806  0.195248  1
  H  H2  1  0.756783  0.369879  0.205132  1
  H  H3  1  0.697862  0.708166  0.214861  1
  H  H4  1  0.281775  0.955283  0.176088  1
  H  H5  1  0.806574  0.284279  0.186679  1
  H  H6  1  0.767954  0.619660  0.197071  1
  H  H7  1  0.724384  0.874014  0.189441  1
  H  H8  1  0.242150  0.203600  0.200121  1
  H  H9  1  0.240554  0.537965  0.209914  1
  H  H10  1  1.028529  0.118414  0.181770  1
  H  H11  1  0.287866  0.450680  0.191711  1
  H  H12  1  0.196678  0.791371  0.202274  1
  H  H13  1  0.983166  0.046078  0.228938  1
  H  H14  1  0.238796  0.381918  0.238768  1
  H  H15  1  0.191627  0.720087  0.248698  1
  H  H16  1  0.829243  0.958021  0.210390  1
  H  H17  1  0.267228  0.291270  0.220690  1
  H  H18  1  0.228200  0.629009  0.230750  1
  H  H19  1  0.242232  0.878246  0.223244  1
  H  H20  1  0.731337  0.213533  0.233912  1
  H  H21  1  0.722481  0.550771  0.243569  1
  H  H22  1  0.585032  0.124361  0.215851  1
  H  H23  1  0.748117  0.459546  0.225514  1
  H  H24  1  0.694929  0.798721  0.236052  1
  H  H25  1  0.519240  0.059880  0.261947  1
  H  H26  1  0.716222  0.397215  0.271850  1
  H  H27  1  0.681176  0.734395  0.282028  1
  H  H28  1  0.372254  0.969051  0.243244  1
  H  H29  1  0.736526  0.305824  0.253441  1
  H  H30  1  0.702418  0.643216  0.263439  1
  H  H31  1  0.774071  0.891001  0.256012  1
  H  H32  1  0.223094  0.228483  0.266929  1
  H  H33  1  0.199972  0.565631  0.276732  1
  H  H34  1  1.127600  0.137082  0.248662  1
  H  H35  1  0.221223  0.474353  0.258175  1
  H  H36  1  0.200428  0.812760  0.269084  1
  H  H37  1  1.059100  0.073705  0.295017  1
  H  H38  1  0.191322  0.411159  0.305059  1
  H  H39  1  0.170083  0.747908  0.315419  1
  H  H40  1  0.913806  -0.017424  0.276021  1
  H  H41  1  0.210555  0.320171  0.286308  1
  H  H42  1  0.180645  0.657079  0.296306  1
  H  H43  1  0.311561  0.904353  0.289103  1
  H  H44  1  0.701737  0.242642  0.300143  1
  H  H45  1  0.676830  0.579378  0.309959  1
  H  H46  1  0.660752  0.151631  0.281451  1
  H  H47  1  0.696419  0.488492  0.291087  1
  H  H48  1  0.717847  0.826074  0.302384  1
  H  H49  1  0.597327  0.087722  0.328097  1
  H  H50  1  0.666938  0.424926  0.338226  1
  H  H51  1  0.669505  0.761733  0.348695  1
  H  H52  1  0.453951  -0.003858  0.308989  1
  H  H53  1  0.685183  0.334034  0.319348  1
  H  H54  1  0.660285  0.670354  0.329407  1
  H  H55  1  0.850060  0.918076  0.322159  1
  H  H56  1  0.176848  0.256766  0.333312  1
  H  H57  1  1.154454  0.592893  0.343165  1
  H  H58  1  0.173666  0.165401  0.314459  1
  H  H59  1  0.172302  0.502120  0.324173  1
  H  H60  1  0.248551  0.840042  0.335599  1
  H  H61  1  1.122845  0.101745  0.361196  1
  H  H62  1  1.142911  0.438537  0.371376  1
  H  H63  1  0.187703  0.775592  0.381892  1
  H  H64  1  0.993960  0.009981  0.341969  1
  H  H65  1  1.160804  0.347816  0.352420  1
  H  H66  1  1.140840  0.684058  0.362552  1
  H  H67  1  0.389931  0.931909  0.355206  1
  H  H68  1  0.653348  0.270590  0.366460  1
  H  H69  1  0.632216  0.606498  0.376318  1
  H  H70  1  0.666220  0.179430  0.347507  1
  H  H71  1  0.648797  0.515686  0.357285  1
  H  H72  1  0.785800  0.853953  0.368721  1
  H  H73  1  0.627808  0.115590  0.394316  1
  H  H74  1  0.619019  0.452100  0.404508  1
  H  H75  1  0.722357  0.789623  0.415024  1
  H  H76  1  0.533380  0.023885  0.375013  1
  H  H77  1  0.636718  0.361409  0.385529  1
  H  H78  1  0.627928  0.697919  0.395721  1
  H  H79  1  0.930277  0.945744  0.388258  1
  H  H80  1  1.130143  0.284251  0.399614  1
  H  H81  1  1.110086  0.620136  0.409428  1
  H  H82  1  1.145650  0.193372  0.380609  1
  H  H83  1  1.125593  0.529257  0.390423  1
  H  H84  1  0.325459  0.867765  0.401779  1
  H  H85  1  1.114897  0.129450  0.427485  1
  H  H86  1  1.094933  0.465693  0.437616  1
  H  H87  1  0.261776  0.803528  0.448068  1
  H  H88  1  1.068033  0.037917  0.408144  1
  H  H89  1  1.112825  0.374971  0.418660  1
  H  H90  1  1.132891  0.711764  0.428841  1
  H  H91  1  0.469936  0.959556  0.421316  1
  H  H92  1  0.606939  0.297823  0.432752  1
  H  H93  1  0.589516  0.634078  0.442530  1
  H  H94  1  0.623521  0.207011  0.413719  1
  H  H95  1  0.602388  0.542918  0.423576  1
  H  H96  1  0.865805  0.881600  0.434831  1
  H  H97  1  0.595452  0.143155  0.460630  1
  H  H98  1  0.570554  0.479475  0.470689  1
  H  H99  1  0.801785  0.817366  0.481048  1
  H  H100  1  0.586232  0.051775  0.441341  1
  H  H101  1  0.588798  0.388583  0.451810  1
  H  H102  1  0.658410  0.725787  0.461940  1
  H  H103  1  1.007185  0.973467  0.454438  1
  H  H104  1  1.083434  0.311388  0.465864  1
  H  H105  1  1.082071  0.648108  0.475577  1
  H  H106  1  1.101283  0.220615  0.446871  1
  H  H107  1  1.078888  0.556743  0.456725  1
  H  H108  1  0.405677  0.895433  0.467878  1
  H  H109  1  1.075091  0.156430  0.493730  1
  H  H110  1  1.045181  0.493337  0.503728  1
  H  H111  1  0.341930  0.830933  0.514016  1
  H  H112  1  1.085653  0.065600  0.474617  1
  H  H113  1  1.064415  0.402350  0.484978  1
  H  H114  1  0.196636  0.739804  0.495019  1
  H  H115  1  0.537889  -0.012565  0.487652  1
  H  H116  1  0.559317  0.325017  0.498949  1
  H  H117  1  0.594984  0.661878  0.508586  1
  H  H118  1  0.578907  0.234131  0.480078  1
  H  H119  1  0.553999  0.570867  0.489893  1
  H  H120  1  0.944176  0.909155  0.500934  1
  H  H121  1  0.553318  0.170293  0.526597  1
  H  H122  1  0.519210  0.507684  0.536595  1
  H  H123  1  0.883482  0.844457  0.546793  1
  H  H124  1  0.574561  0.079113  0.508009  1
  H  H125  1  0.539514  0.416293  0.518186  1
  H  H126  1  0.736497  0.753628  0.528090  1
  H  H127  1  1.055308  0.000749  0.520952  1
  H  H128  1  1.034513  0.339155  0.531861  1
  H  H129  1  1.128136  0.676427  0.541375  1
  H  H130  1  1.055764  0.247877  0.513305  1
  H  H131  1  1.032643  0.585026  0.523108  1
  H  H132  1  0.481666  0.922507  0.534025  1
  H  H133  1  1.027536  0.184500  0.559287  1
  H  H134  1  0.988509  0.522238  0.569347  1
  H  H135  1  0.426494  0.855488  0.579647  1
  H  H136  1  1.064109  0.093422  0.541339  1
  H  H137  1  1.016940  0.431591  0.551269  1
  H  H138  1  0.272571  0.767431  0.561099  1
  H  H139  1  0.560808  0.014788  0.553985  1
  H  H140  1  0.507620  0.353962  0.564523  1
  H  H141  1  0.670704  0.689148  0.574186  1
  H  H142  1  0.533256  0.262737  0.546468  1
  H  H143  1  0.524400  0.599975  0.556125  1
  H  H144  1  1.013504  0.935262  0.566793  1
  H  H145  1  0.487782  0.193849  0.592966  1
  H  H146  1  0.449162  0.529229  0.603357  1
  H  H147  1  0.973962  0.858226  0.613949  1
  H  H148  1  0.557874  0.105342  0.575176  1
  H  H149  1  0.498954  0.443629  0.584905  1
  H  H150  1  0.800029  0.775703  0.594789  1
  H  H151  1  1.059058  0.022138  0.587763  1
  H  H152  1  0.967870  0.362828  0.598325  1
  H  H153  1  0.227208  0.695094  0.608267  1
  H  H154  1  1.015182  0.275544  0.580123  1
  H  H155  1  1.013586  0.609908  0.589916  1
  H  H156  1  0.531352  0.939495  0.600595  1
