# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95857970
_cell_length_b   9.64539211
_cell_length_c   50.14755349
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.79112354
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H156
_cell_volume   3262.84576243
_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  0.475980  0.588577  0.257534  1
  H  H2  1  0.915077  0.530225  0.252296  1
  H  H3  1  0.305483  0.846324  0.274001  1
  H  H4  1  0.425643  0.196043  0.263463  1
  H  H5  1  0.874037  0.868540  0.280818  1
  H  H6  1  0.883218  0.263339  0.265038  1
  H  H7  1  0.135227  0.360239  0.278026  1
  H  H8  1  0.560569  0.367123  0.276748  1
  H  H9  1  0.117056  0.691607  0.260761  1
  H  H10  1  0.175880  0.079769  0.255670  1
  H  H11  1  0.668484  0.736685  0.268719  1
  H  H12  1  0.766508  1.065301  0.254914  1
  H  H13  1  0.281579  0.528436  0.291616  1
  H  H14  1  0.771877  0.488467  0.289878  1
  H  H15  1  0.140642  0.777326  0.309229  1
  H  H16  1  0.246468  0.144623  0.300544  1
  H  H17  1  0.671524  0.807715  0.314675  1
  H  H18  1  0.689711  0.148661  0.297828  1
  H  H19  1  0.917725  0.274849  0.310153  1
  H  H20  1  0.396295  0.303402  0.312448  1
  H  H21  1  0.946011  0.640175  0.297786  1
  H  H22  1  0.020521  1.032177  0.292246  1
  H  H23  1  0.486115  0.662287  0.302891  1
  H  H24  1  0.528399  0.979024  0.284488  1
  H  H25  1  0.081198  0.442075  0.321862  1
  H  H26  1  0.599588  0.427558  0.323134  1
  H  H27  1  0.961388  0.714297  0.343468  1
  H  H28  1  0.050885  0.085875  0.336809  1
  H  H29  1  0.473172  0.737919  0.347129  1
  H  H30  1  0.511651  1.065344  0.330514  1
  H  H31  1  0.708511  0.203787  0.342163  1
  H  H32  1  0.221250  0.236158  0.346342  1
  H  H33  1  0.766199  0.580653  0.333617  1
  H  H34  1  0.853067  0.952753  0.325455  1
  H  H35  1  0.293679  0.580841  0.335324  1
  H  H36  1  0.328214  0.919495  0.318824  1
  H  H37  1  0.886064  0.358266  0.353606  1
  H  H38  1  0.416308  0.368612  0.357697  1
  H  H39  1  0.779914  0.653135  0.378542  1
  H  H40  1  0.856632  1.024545  0.370589  1
  H  H41  1  0.272202  0.656140  0.378477  1
  H  H42  1  0.328737  0.998518  0.364809  1
  H  H43  1  0.512189  0.140651  0.375558  1
  H  H44  1  0.040616  0.169581  0.381039  1
  H  H45  1  0.588929  0.517018  0.368297  1
  H  H46  1  0.669462  0.880361  0.358956  1
  H  H47  1  0.086146  0.500834  0.365819  1
  H  H48  1  0.141041  0.858030  0.354148  1
  H  H49  1  0.697587  0.284252  0.386832  1
  H  H50  1  0.227616  0.309084  0.392102  1
  H  H51  1  0.595934  0.592037  0.413448  1
  H  H52  1  0.660212  0.955540  0.403161  1
  H  H53  1  0.072408  0.575378  0.409742  1
  H  H54  1  0.144695  0.936135  0.399553  1
  H  H55  1  0.325370  0.079102  0.410220  1
  H  H56  1  0.852544  0.100732  0.414851  1
  H  H57  1  0.408696  0.452652  0.402809  1
  H  H58  1  0.472959  0.803516  0.390980  1
  H  H59  1  0.886062  0.427473  0.398036  1
  H  H60  1  0.957842  0.796878  0.389183  1
  H  H61  1  0.511373  0.219510  0.420989  1
  H  H62  1  0.038567  0.245875  0.426191  1
  H  H63  1  0.409477  0.530234  0.448046  1
  H  H64  1  0.457115  0.875585  0.434322  1
  H  H65  1  0.880548  0.504855  0.442834  1
  H  H66  1  0.961513  0.874714  0.434468  1
  H  H67  1  0.141613  1.017360  0.445111  1
  H  H68  1  0.654784  1.024681  0.446892  1
  H  H69  1  0.224269  0.388525  0.437162  1
  H  H70  1  0.266464  0.722805  0.421935  1
  H  H71  1  0.695125  0.362032  0.431772  1
  H  H72  1  0.775805  0.735453  0.424009  1
  H  H73  1  0.327070  0.156937  0.455684  1
  H  H74  1  0.843805  0.175584  0.459058  1
  H  H75  1  0.221004  0.466323  0.482147  1
  H  H76  1  0.255372  0.796155  0.465718  1
  H  H77  1  0.693995  0.440599  0.477033  1
  H  H78  1  0.778230  0.813162  0.469333  1
  H  H79  1  0.958806  0.956066  0.479988  1
  H  H80  1  0.448873  0.943259  0.477824  1
  H  H81  1  0.034728  0.321274  0.470787  1
  H  H82  1  0.068331  0.648518  0.454066  1
  H  H83  1  0.508575  0.299747  0.466314  1
  H  H84  1  0.592335  0.672916  0.458679  1
  H  H85  1  0.144096  0.095591  0.490517  1
  H  H86  1  0.639611  0.095815  0.490234  1
  H  H87  1  0.025363  0.396121  0.515039  1
  H  H88  1  0.063078  0.725804  0.498846  1
  H  H89  1  0.510124  0.377818  0.511662  1
  H  H90  1  0.592509  0.750909  0.503965  1
  H  H91  1  0.775153  0.893582  0.514711  1
  H  H92  1  0.250668  0.869463  0.510028  1
  H  H93  1  0.837154  0.245248  0.502806  1
  H  H94  1  0.877957  0.582952  0.487785  1
  H  H95  1  0.324041  0.238258  0.501211  1
  H  H96  1  0.406508  0.609463  0.493026  1
  H  H97  1  0.961237  1.034161  0.525368  1
  H  H98  1  0.437908  1.016520  0.521599  1
  H  H99  1  0.819802  0.317846  0.546262  1
  H  H100  1  0.878904  0.659851  0.533109  1
  H  H101  1  0.328704  0.316238  0.546413  1
  H  H102  1  0.401784  0.687246  0.537956  1
  H  H103  1  0.589623  0.828710  0.548872  1
  H  H104  1  0.058292  0.805516  0.543758  1
  H  H105  1  0.632885  0.163877  0.533672  1
  H  H106  1  0.689940  0.521487  0.522286  1
  H  H107  1  0.140782  0.177187  0.536186  1
  H  H108  1  0.217300  0.541391  0.526635  1
  H  H109  1  0.774148  0.972745  0.560083  1
  H  H110  1  0.247538  0.944443  0.555051  1
  H  H111  1  0.620712  0.238357  0.577678  1
  H  H112  1  0.700032  0.594126  0.567594  1
  H  H113  1  0.148510  0.253739  0.581389  1
  H  H114  1  0.199958  0.618607  0.570855  1
  H  H115  1  0.403783  0.754042  0.582328  1
  H  H116  1  0.865151  0.747524  0.578171  1
  H  H117  1  0.433359  0.091569  0.565297  1
  H  H118  1  0.502972  0.461759  0.557340  1
  H  H119  1  0.957372  0.113995  0.570907  1
  H  H120  1  0.023497  0.462899  0.558892  1
  H  H121  1  0.573718  0.911788  0.593458  1
  H  H122  1  0.069990  0.873052  0.589851  1
  H  H123  1  0.437175  0.161416  0.610322  1
  H  H124  1  0.527043  0.527792  0.602238  1
  H  H125  1  0.960365  0.189164  0.616440  1
  H  H126  1  -0.009375  0.543850  0.602389  1
  H  H127  1  0.220420  0.666039  0.615191  1
  H  H128  1  0.673907  0.692070  0.613099  1
  H  H129  1  0.235733  1.028923  0.598829  1
  H  H130  1  0.320655  0.401526  0.592551  1
  H  H131  1  0.775891  1.042420  0.605246  1
  H  H132  1  0.825255  0.378997  0.590013  1
  H  H133  1  0.363093  0.842840  0.625746  1
  H  H134  1  0.901899  0.797152  0.623647  1
  H  H135  1  0.265521  0.080748  0.643560  1
  H  H136  1  0.352806  0.461111  0.637769  1
  H  H137  1  0.759348  0.126008  0.651451  1
  H  H138  1  0.797000  0.464031  0.634135  1
  H  H139  1  0.035090  0.572566  0.647227  1
  H  H140  1  0.502070  0.627521  0.646883  1
  H  H141  1  0.036029  0.967910  0.634902  1
  H  H142  1  0.142392  0.334493  0.626594  1
  H  H143  1  0.602324  0.954387  0.638267  1
  H  H144  1  0.629910  0.303471  0.621667  1
  H  H145  1  0.151085  0.762079  0.658147  1
  H  H146  1  0.741300  0.728528  0.658842  1
  H  H147  1  0.108958  1.027593  0.679507  1
  H  H148  1  0.183312  0.385657  0.675669  1
  H  H149  1  0.513248  1.048922  0.681330  1
  H  H150  1  0.618308  0.377765  0.667901  1
  H  H151  1  0.833165  0.511699  0.680052  1
  H  H152  1  0.337948  0.570501  0.681827  1
  H  H153  1  0.854538  0.911250  0.672805  1
  H  H154  1  0.968888  0.262562  0.660628  1
  H  H155  1  0.414865  0.846265  0.670972  1
  H  H156  1  0.428588  0.236116  0.653602  1
