# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00750718
_cell_length_b   23.78979064
_cell_length_c   46.00762947
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.57569056
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   4372.28435581
_cell_formula_units_Z   108
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  0.250139  0.165070  0.282952  1
  H  H2  1  0.684691  0.503955  0.295730  1
  H  H3  1  0.563192  0.838593  0.299983  1
  H  H4  1  0.927875  0.998770  0.284022  1
  H  H5  1  0.080528  0.334825  0.291198  1
  H  H6  1  0.255967  0.673454  0.300312  1
  H  H7  1  0.757619  0.907020  0.267604  1
  H  H8  1  0.902710  0.241877  0.275027  1
  H  H9  1  0.362121  0.581792  0.288452  1
  H  H10  1  0.353632  0.070594  0.271635  1
  H  H11  1  0.510299  0.408867  0.279979  1
  H  H12  1  0.675483  0.746208  0.287531  1
  H  H13  1  0.733449  0.177145  0.309560  1
  H  H14  1  0.182107  0.516184  0.322085  1
  H  H15  1  0.057344  0.852790  0.324653  1
  H  H16  1  0.436950  1.009928  0.309739  1
  H  H17  1  0.594703  0.346883  0.317470  1
  H  H18  1  0.758736  0.685148  0.325973  1
  H  H19  1  0.258772  0.920956  0.292195  1
  H  H20  1  0.414723  0.258160  0.300064  1
  H  H21  1  0.863088  0.596121  0.313393  1
  H  H22  1  0.845038  0.089639  0.296519  1
  H  H23  1  0.011574  0.427059  0.304866  1
  H  H24  1  0.164255  0.763926  0.312736  1
  H  H25  1  0.227002  0.189356  0.333415  1
  H  H26  1  0.677452  0.529138  0.346400  1
  H  H27  1  0.546332  0.863890  0.349847  1
  H  H28  1  0.935883  0.022997  0.334003  1
  H  H29  1  0.095513  0.359877  0.341763  1
  H  H30  1  0.255532  0.698373  0.350336  1
  H  H31  1  0.749973  0.931302  0.318076  1
  H  H32  1  0.912839  0.268105  0.325794  1
  H  H33  1  0.361655  0.608366  0.338516  1
  H  H34  1  0.336552  0.099975  0.321673  1
  H  H35  1  0.501478  0.437472  0.330363  1
  H  H36  1  0.656406  0.774599  0.337832  1
  H  H37  1  0.717051  0.201269  0.358426  1
  H  H38  1  0.169636  0.541674  0.371186  1
  H  H39  1  0.038018  0.876421  0.374367  1
  H  H40  1  0.431490  0.035102  0.358904  1
  H  H41  1  0.591716  0.372076  0.366861  1
  H  H42  1  0.750185  0.710307  0.375156  1
  H  H43  1  0.243217  0.943511  0.342409  1
  H  H44  1  0.407772  0.280400  0.350287  1
  H  H45  1  0.859370  0.620842  0.363072  1
  H  H46  1  0.829904  0.112100  0.346347  1
  H  H47  1  0.990028  0.449743  0.354866  1
  H  H48  1  0.147840  0.787153  0.362313  1
  H  H49  1  0.209889  0.213819  0.382731  1
  H  H50  1  0.662473  0.554146  0.395724  1
  H  H51  1  0.531873  0.888754  0.399213  1
  H  H52  1  0.926735  0.047351  0.383587  1
  H  H53  1  0.087101  0.384560  0.391516  1
  H  H54  1  0.243189  0.722771  0.399836  1
  H  H55  1  0.736508  0.956032  0.366934  1
  H  H56  1  0.901982  0.293220  0.374841  1
  H  H57  1  0.354142  0.633403  0.387791  1
  H  H58  1  0.322888  0.124454  0.370871  1
  H  H59  1  0.480658  0.462533  0.379220  1
  H  H60  1  0.639795  0.799186  0.387060  1
  H  H61  1  0.704552  0.226199  0.407487  1
  H  H62  1  0.155791  0.566488  0.420472  1
  H  H63  1  0.025529  0.901126  0.423997  1
  H  H64  1  0.421478  0.059721  0.408320  1
  H  H65  1  0.580858  0.397085  0.416239  1
  H  H66  1  0.736460  0.735028  0.424641  1
  H  H67  1  0.230111  0.968159  0.391576  1
  H  H68  1  0.395594  0.305375  0.399499  1
  H  H69  1  0.847496  0.645690  0.412571  1
  H  H70  1  0.816961  0.136671  0.395640  1
  H  H71  1  0.972821  0.474826  0.403807  1
  H  H72  1  0.132922  0.811588  0.411750  1
  H  H73  1  0.199226  0.238510  0.432144  1
  H  H74  1  0.648622  0.578770  0.445200  1
  H  H75  1  0.519845  0.913471  0.448795  1
  H  H76  1  0.916992  0.072041  0.433031  1
  H  H77  1  0.074491  0.409462  0.440941  1
  H  H78  1  0.228611  0.747397  0.449371  1
  H  H79  1  0.724910  0.980481  0.416310  1
  H  H80  1  0.889811  0.317812  0.424181  1
  H  H81  1  0.340669  0.658007  0.437337  1
  H  H82  1  0.311699  0.149146  0.420228  1
  H  H83  1  0.465859  0.487206  0.428466  1
  H  H84  1  0.625247  0.823932  0.436493  1
  H  H85  1  0.694079  0.250877  0.456838  1
  H  H86  1  0.141447  0.591081  0.469941  1
  H  H87  1  0.014559  0.925887  0.473583  1
  H  H88  1  0.412920  0.084434  0.457703  1
  H  H89  1  0.568060  0.421816  0.465657  1
  H  H90  1  0.720907  0.759658  0.474151  1
  H  H91  1  0.220162  0.992807  0.441021  1
  H  H92  1  0.384251  0.330178  0.448854  1
  H  H93  1  0.832847  0.670332  0.462102  1
  H  H94  1  0.806720  0.161485  0.444932  1
  H  H95  1  0.958934  0.499512  0.453144  1
  H  H96  1  0.117953  0.836192  0.461224  1
  H  H97  1  0.189039  0.263251  0.481500  1
  H  H98  1  0.633697  0.603381  0.494688  1
  H  H99  1  0.510708  0.938305  0.498415  1
  H  H100  1  0.909576  0.096811  0.482383  1
  H  H101  1  0.061485  0.434140  0.490373  1
  H  H102  1  0.212092  0.771977  0.498901  1
  H  H103  1  0.716324  1.005157  0.465755  1
  H  H104  1  0.878586  0.342532  0.473565  1
  H  H105  1  0.325095  0.682618  0.486867  1
  H  H106  1  0.302256  0.173858  0.469583  1
  H  H107  1  0.451762  0.511825  0.477848  1
  H  H108  1  0.609416  0.848505  0.485926  1
  H  H109  1  0.684061  0.275599  0.506201  1
  H  H110  1  0.125998  0.615674  0.519438  1
  H  H111  1  0.008780  0.950895  0.523296  1
  H  H112  1  0.406624  0.109226  0.507015  1
  H  H113  1  0.554804  0.446445  0.515086  1
  H  H114  1  0.703159  0.784216  0.523677  1
  H  H115  1  0.213022  1.017538  0.490444  1
  H  H116  1  0.372803  0.354866  0.498263  1
  H  H117  1  0.816498  0.694939  0.511631  1
  H  H118  1  0.798028  0.186265  0.494256  1
  H  H119  1  0.944502  0.524114  0.502563  1
  H  H120  1  0.100510  0.860751  0.510625  1
  H  H121  1  0.179108  0.287941  0.530890  1
  H  H122  1  0.617884  0.627978  0.544202  1
  H  H123  1  0.510549  0.963575  0.548248  1
  H  H124  1  0.903777  0.121681  0.531635  1
  H  H125  1  0.047838  0.458726  0.539804  1
  H  H126  1  0.193186  0.796519  0.548429  1
  H  H127  1  0.710627  0.029980  0.515108  1
  H  H128  1  0.866811  0.367156  0.522987  1
  H  H129  1  0.307970  0.707237  0.536394  1
  H  H130  1  0.294076  0.198686  0.518894  1
  H  H131  1  0.436997  0.536404  0.527289  1
  H  H132  1  0.590473  0.873023  0.535314  1
  H  H133  1  0.674133  0.300173  0.555645  1
  H  H134  1  0.109845  0.640286  0.568945  1
  H  H135  1  0.016515  0.976478  0.573348  1
  H  H136  1  0.400665  0.134105  0.556157  1
  H  H137  1  0.540783  0.470987  0.564505  1
  H  H138  1  0.683358  0.808773  0.573213  1
  H  H139  1  0.209265  0.042473  0.539745  1
  H  H140  1  0.360790  0.379446  0.547696  1
  H  H141  1  0.798801  0.719566  0.561175  1
  H  H142  1  0.790236  0.211058  0.543614  1
  H  H143  1  0.929293  0.548691  0.552028  1
  H  H144  1  0.080564  0.885488  0.560052  1
  H  H145  1  0.169015  0.312462  0.580344  1
  H  H146  1  0.601323  0.652646  0.593700  1
  H  H147  1  0.526794  0.989105  0.598508  1
  H  H148  1  0.897737  0.146454  0.580832  1
  H  H149  1  0.033434  0.483290  0.589192  1
  H  H150  1  0.173237  0.821342  0.597886  1
  H  H151  1  0.710053  0.055014  0.564427  1
  H  H152  1  0.854489  0.391637  0.572430  1
  H  H153  1  0.289820  0.731855  0.585935  1
  H  H154  1  0.286570  0.223428  0.568266  1
  H  H155  1  0.421379  0.560996  0.576755  1
  H  H156  1  0.570300  0.897841  0.584834  1
  H  H157  1  0.664136  0.324467  0.605132  1
  H  H158  1  0.092430  0.664728  0.618431  1
  H  H159  1  0.040802  1.001535  0.623948  1
  H  H160  1  0.395256  0.158874  0.605305  1
  H  H161  1  0.524939  0.495540  0.613803  1
  H  H162  1  0.663130  0.833383  0.622711  1
  H  H163  1  0.214170  0.067375  0.589252  1
  H  H164  1  0.348141  0.403866  0.597165  1
  H  H165  1  0.780896  0.744181  0.610771  1
  H  H166  1  0.783042  0.235478  0.593169  1
  H  H167  1  0.913343  0.573412  0.601513  1
  H  H168  1  0.058934  0.910286  0.609764  1
  H  H169  1  0.158758  0.336919  0.629794  1
  H  H170  1  0.583924  0.677394  0.643052  1
  H  H171  1  0.555908  1.013288  0.649146  1
  H  H172  1  0.890937  0.170186  0.630519  1
  H  H173  1  0.014529  0.508217  0.638216  1
  H  H174  1  0.152040  0.845808  0.647367  1
  H  H175  1  0.721850  0.079395  0.614230  1
  H  H176  1  0.840941  0.416226  0.621728  1
  H  H177  1  0.270813  0.756779  0.635155  1
  H  H178  1  0.278851  0.247978  0.617721  1
  H  H179  1  0.406636  0.585757  0.626206  1
  H  H180  1  0.548046  0.922230  0.634619  1
  H  H181  1  0.655976  0.349060  0.654280  1
  H  H182  1  0.076993  0.689783  0.667556  1
  H  H183  1  0.073827  0.025990  0.674368  1
  H  H184  1  0.385493  0.183838  0.654564  1
  H  H185  1  0.501977  0.520203  0.662747  1
  H  H186  1  0.643140  0.857517  0.672084  1
  H  H187  1  0.233895  0.091861  0.639253  1
  H  H188  1  0.332767  0.428671  0.646476  1
  H  H189  1  0.757884  0.768476  0.660236  1
  H  H190  1  0.776615  0.259284  0.642759  1
  H  H191  1  0.900494  0.597797  0.651320  1
  H  H192  1  0.038229  0.934377  0.659963  1
  H  H193  1  0.153071  0.361415  0.679277  1
  H  H194  1  0.572096  0.699244  0.693361  1
  H  H195  1  0.580529  0.036126  0.701177  1
  H  H196  1  0.869755  0.191453  0.681022  1
  H  H197  1  0.990639  0.530341  0.688302  1
  H  H198  1  0.132150  0.868783  0.697385  1
  H  H199  1  0.744554  0.101696  0.664940  1
  H  H200  1  0.827153  0.441260  0.670895  1
  H  H201  1  0.249439  0.781030  0.684182  1
  H  H202  1  0.272561  0.272593  0.667068  1
  H  H203  1  0.398739  0.610461  0.675648  1
  H  H204  1  0.534556  0.946795  0.684386  1
  H  H205  1  0.650697  0.374712  0.704292  1
  H  H206  1  0.083205  0.715573  0.718410  1
  H  H207  1  0.085157  0.056237  0.725045  1
  H  H208  1  0.366079  0.213041  0.705794  1
  H  H209  1  0.490660  0.548411  0.713157  1
  H  H210  1  0.624559  0.886184  0.722326  1
  H  H211  1  0.264301  0.118458  0.689698  1
  H  H212  1  0.324253  0.453231  0.697286  1
  H  H213  1  0.732273  0.792184  0.710760  1
  H  H214  1  0.779894  0.283959  0.692514  1
  H  H215  1  0.911131  0.622625  0.701754  1
  H  H216  1  0.042222  0.960230  0.710884  1
