# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55352329
_cell_length_b   15.61417396
_cell_length_c   49.45521124
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.34548320
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H176
_cell_volume   3509.09086529
_cell_formula_units_Z   88
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  0.502095  0.787042  0.282184  1
  H  H2  1  0.880301  0.284905  0.278522  1
  H  H3  1  1.002095  0.787042  0.282184  1
  H  H4  1  0.380301  0.284905  0.278522  1
  H  H5  1  0.348302  0.413720  0.257051  1
  H  H6  1  0.970178  0.916141  0.260555  1
  H  H7  1  0.848302  0.413720  0.257051  1
  H  H8  1  0.470178  0.916141  0.260555  1
  H  H9  1  0.566739  0.535612  0.276451  1
  H  H10  1  0.191008  0.036015  0.280258  1
  H  H11  1  0.066739  0.535612  0.276451  1
  H  H12  1  0.691008  0.036015  0.280258  1
  H  H13  1  0.782904  0.666242  0.262975  1
  H  H14  1  0.159337  0.165293  0.258668  1
  H  H15  1  0.282904  0.666242  0.262975  1
  H  H16  1  0.659337  0.165293  0.258668  1
  H  H17  1  0.253722  0.777092  0.323761  1
  H  H18  1  0.631593  0.275584  0.320121  1
  H  H19  1  0.753722  0.777092  0.323761  1
  H  H20  1  0.131593  0.275584  0.320121  1
  H  H21  1  0.100000  0.405112  0.299006  1
  H  H22  1  0.722081  0.906801  0.302595  1
  H  H23  1  0.600000  0.405112  0.299006  1
  H  H24  1  0.222081  0.906801  0.302595  1
  H  H25  1  0.318550  0.526130  0.318019  1
  H  H26  1  0.942572  0.026310  0.321923  1
  H  H27  1  0.818550  0.526130  0.318019  1
  H  H28  1  0.442572  0.026310  0.321923  1
  H  H29  1  0.534783  0.656140  0.304794  1
  H  H30  1  0.911245  0.155823  0.300735  1
  H  H31  1  1.034783  0.656140  0.304794  1
  H  H32  1  0.411245  0.155823  0.300735  1
  H  H33  1  1.005510  0.767191  0.365251  1
  H  H34  1  0.383247  0.265849  0.361588  1
  H  H35  1  0.505510  0.767191  0.365251  1
  H  H36  1  0.883247  0.265849  0.361588  1
  H  H37  1  0.851607  0.395420  0.340104  1
  H  H38  1  0.473920  0.896715  0.343739  1
  H  H39  1  0.351607  0.395420  0.340104  1
  H  H40  1  0.973920  0.896715  0.343739  1
  H  H41  1  0.070340  0.516332  0.359477  1
  H  H42  1  0.694314  0.016449  0.363424  1
  H  H43  1  0.570340  0.516332  0.359477  1
  H  H44  1  0.194314  0.016449  0.363424  1
  H  H45  1  0.286621  0.646363  0.345882  1
  H  H46  1  0.662938  0.146021  0.341892  1
  H  H47  1  0.786621  0.646363  0.345882  1
  H  H48  1  0.162938  0.146021  0.341892  1
  H  H49  1  0.757285  0.757444  0.406746  1
  H  H50  1  0.134944  0.256159  0.403066  1
  H  H51  1  0.257285  0.757444  0.406746  1
  H  H52  1  0.634944  0.256159  0.403066  1
  H  H53  1  0.603304  0.385678  0.381486  1
  H  H54  1  0.225681  0.886926  0.385156  1
  H  H55  1  0.103304  0.385678  0.381486  1
  H  H56  1  0.725681  0.886926  0.385156  1
  H  H57  1  0.822103  0.506566  0.400966  1
  H  H58  1  0.446042  0.006747  0.404921  1
  H  H59  1  0.322103  0.506566  0.400966  1
  H  H60  1  0.946042  0.006747  0.404921  1
  H  H61  1  1.038428  0.636575  0.387266  1
  H  H62  1  0.414630  0.136298  0.383299  1
  H  H63  1  0.538428  0.636575  0.387266  1
  H  H64  1  0.914630  0.136298  0.383299  1
  H  H65  1  0.509035  0.747719  0.448221  1
  H  H66  1  0.886656  0.246449  0.444533  1
  H  H67  1  1.009035  0.747719  0.448221  1
  H  H68  1  0.386656  0.246449  0.444533  1
  H  H69  1  0.355026  0.375951  0.422927  1
  H  H70  1  0.977418  0.877207  0.426612  1
  H  H71  1  0.855026  0.375951  0.422927  1
  H  H72  1  0.477418  0.877207  0.426612  1
  H  H73  1  0.573850  0.496834  0.442439  1
  H  H74  1  0.197763  0.997043  0.446396  1
  H  H75  1  0.073850  0.496834  0.442439  1
  H  H76  1  0.697763  0.997043  0.446396  1
  H  H77  1  0.790183  0.626840  0.428708  1
  H  H78  1  0.166331  0.126601  0.424749  1
  H  H79  1  0.290183  0.626840  0.428708  1
  H  H80  1  0.666331  0.126601  0.424749  1
  H  H81  1  0.260771  0.737998  0.489686  1
  H  H82  1  0.638379  0.236734  0.485996  1
  H  H83  1  0.760771  0.737998  0.489686  1
  H  H84  1  0.138379  0.236734  0.485996  1
  H  H85  1  0.106754  0.366227  0.464384  1
  H  H86  1  0.729147  0.867491  0.468074  1
  H  H87  1  0.606754  0.366227  0.464384  1
  H  H88  1  0.229147  0.867491  0.468074  1
  H  H89  1  0.325595  0.487109  0.483904  1
  H  H90  1  0.949481  0.987333  0.487861  1
  H  H91  1  0.825595  0.487109  0.483904  1
  H  H92  1  0.449481  0.987333  0.487861  1
  H  H93  1  0.541931  0.617116  0.470166  1
  H  H94  1  0.918044  0.116893  0.466209  1
  H  H95  1  1.041931  0.617116  0.470166  1
  H  H96  1  0.418044  0.116893  0.466209  1
  H  H97  1  1.012499  0.728274  0.531143  1
  H  H98  1  0.390108  0.227018  0.527458  1
  H  H99  1  0.512499  0.728274  0.531143  1
  H  H100  1  0.890108  0.227018  0.527458  1
  H  H101  1  0.858491  0.356506  0.505849  1
  H  H102  1  0.480869  0.857776  0.509537  1
  H  H103  1  0.358491  0.356506  0.505849  1
  H  H104  1  0.980869  0.857776  0.509537  1
  H  H105  1  0.077342  0.477385  0.525362  1
  H  H106  1  0.701195  0.977624  0.529321  1
  H  H107  1  0.577342  0.477385  0.525362  1
  H  H108  1  0.201195  0.977624  0.529321  1
  H  H109  1  0.293675  0.607391  0.511631  1
  H  H110  1  0.669763  0.107182  0.507674  1
  H  H111  1  0.793675  0.607391  0.511631  1
  H  H112  1  0.169763  0.107182  0.507674  1
  H  H113  1  0.764221  0.718547  0.572584  1
  H  H114  1  0.141845  0.217299  0.568914  1
  H  H115  1  0.264221  0.718547  0.572584  1
  H  H116  1  0.641845  0.217299  0.568914  1
  H  H117  1  0.610240  0.346781  0.547324  1
  H  H118  1  0.232582  0.848066  0.551004  1
  H  H119  1  0.110240  0.346781  0.547324  1
  H  H120  1  0.732582  0.848066  0.551004  1
  H  H121  1  0.829098  0.467650  0.566804  1
  H  H122  1  0.452896  0.967927  0.570771  1
  H  H123  1  0.329098  0.467650  0.566804  1
  H  H124  1  0.952896  0.967927  0.570771  1
  H  H125  1  0.045422  0.597659  0.553104  1
  H  H126  1  0.421484  0.097478  0.549149  1
  H  H127  1  0.545422  0.597659  0.553104  1
  H  H128  1  0.921484  0.097478  0.549149  1
  H  H129  1  0.515919  0.708805  0.613966  1
  H  H130  1  0.893605  0.207510  0.610331  1
  H  H131  1  1.015919  0.708805  0.613966  1
  H  H132  1  0.393605  0.207510  0.610331  1
  H  H133  1  0.362016  0.337034  0.588819  1
  H  H134  1  0.984279  0.838376  0.592482  1
  H  H135  1  0.862016  0.337034  0.588819  1
  H  H136  1  0.484279  0.838376  0.592482  1
  H  H137  1  0.580905  0.457862  0.608189  1
  H  H138  1  0.204588  0.958204  0.612178  1
  H  H139  1  0.080905  0.457862  0.608189  1
  H  H140  1  0.704588  0.958204  0.612178  1
  H  H141  1  0.797186  0.587893  0.594593  1
  H  H142  1  0.173212  0.087776  0.590646  1
  H  H143  1  0.297186  0.587893  0.594593  1
  H  H144  1  0.673212  0.087776  0.590646  1
  H  H145  1  0.267526  0.699113  0.655064  1
  H  H146  1  0.645445  0.197424  0.651475  1
  H  H147  1  0.767526  0.699113  0.655064  1
  H  H148  1  0.145445  0.197424  0.651475  1
  H  H149  1  0.113804  0.327133  0.630309  1
  H  H150  1  0.735933  0.828641  0.633949  1
  H  H151  1  0.613804  0.327133  0.630309  1
  H  H152  1  0.235933  0.828641  0.633949  1
  H  H153  1  0.332743  0.448085  0.649276  1
  H  H154  1  0.956281  0.948402  0.653335  1
  H  H155  1  0.832743  0.448085  0.649276  1
  H  H156  1  0.456281  0.948402  0.653335  1
  H  H157  1  0.548976  0.578095  0.636051  1
  H  H158  1  0.924954  0.077915  0.632147  1
  H  H159  1  0.048976  0.578095  0.636051  1
  H  H160  1  0.424954  0.077915  0.632147  1
  H  H161  1  1.019223  0.690505  0.697019  1
  H  H162  1  0.397347  0.188084  0.693515  1
  H  H163  1  0.519223  0.690505  0.697019  1
  H  H164  1  0.897347  0.188084  0.693515  1
  H  H165  1  0.865431  0.317183  0.671886  1
  H  H166  1  0.487225  0.819320  0.675549  1
  H  H167  1  0.365431  0.317183  0.671886  1
  H  H168  1  0.987225  0.819320  0.675549  1
  H  H169  1  0.084622  0.437983  0.691095  1
  H  H170  1  0.708189  0.938932  0.695402  1
  H  H171  1  0.584622  0.437983  0.691095  1
  H  H172  1  0.208189  0.938932  0.695402  1
  H  H173  1  0.300787  0.568613  0.677619  1
  H  H174  1  0.676518  0.068210  0.673812  1
  H  H175  1  0.800787  0.568613  0.677619  1
  H  H176  1  0.176518  0.068210  0.673812  1
