# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63847755
_cell_length_b   12.62185454
_cell_length_c   47.47119326
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   4576.78094115
_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  0.824728  0.185148  0.289282  1
  H  H2  1  0.815625  0.803424  0.304505  1
  H  H3  1  0.821814  0.434561  0.319334  1
  H  H4  1  0.572427  1.117158  0.312627  1
  H  H5  1  0.576037  0.758778  0.332193  1
  H  H6  1  0.565370  0.495263  0.297338  1
  H  H7  1  0.318742  0.196384  0.293079  1
  H  H8  1  0.333366  0.822244  0.307913  1
  H  H9  1  0.329116  0.470971  0.328534  1
  H  H10  1  0.067594  1.142833  0.316633  1
  H  H11  1  0.076346  0.884681  0.286920  1
  H  H12  1  0.086274  0.510190  0.301158  1
  H  H13  1  0.820225  0.258778  0.332193  1
  H  H14  1  0.830892  0.995263  0.297338  1
  H  H15  1  0.823835  0.617158  0.312627  1
  H  H16  1  0.580637  0.303424  0.304505  1
  H  H17  1  0.574449  0.934561  0.319334  1
  H  H18  1  0.571535  0.685148  0.289282  1
  H  H19  1  0.319916  0.384681  0.286920  1
  H  H20  1  0.309988  1.010190  0.301158  1
  H  H21  1  0.328668  0.642833  0.316633  1
  H  H22  1  0.062896  0.322244  0.307913  1
  H  H23  1  0.067146  0.970971  0.328534  1
  H  H24  1  0.077520  0.696384  0.293079  1
  H  H25  1  0.819244  1.080164  0.339041  1
  H  H26  1  0.828233  0.716609  0.353523  1
  H  H27  1  0.825679  0.360902  0.370576  1
  H  H28  1  0.568963  1.036725  0.360725  1
  H  H29  1  0.573861  0.681287  0.378431  1
  H  H30  1  0.578532  0.397137  0.345792  1
  H  H31  1  0.319823  1.112133  0.341525  1
  H  H32  1  0.321784  0.751126  0.357036  1
  H  H33  1  0.323834  0.393569  0.373846  1
  H  H34  1  0.071146  1.075203  0.366674  1
  H  H35  1  0.072342  0.792672  0.333513  1
  H  H36  1  0.070544  0.429381  0.348518  1
  H  H37  1  0.822402  0.181287  0.378431  1
  H  H38  1  0.817730  0.897137  0.345792  1
  H  H39  1  0.827299  0.536725  0.360725  1
  H  H40  1  0.568029  0.216609  0.353523  1
  H  H41  1  0.570583  0.860902  0.370576  1
  H  H42  1  0.577018  0.580164  0.339041  1
  H  H43  1  0.323920  0.292672  0.333513  1
  H  H44  1  0.325719  0.929381  0.348518  1
  H  H45  1  0.325116  0.575203  0.366674  1
  H  H46  1  0.074478  0.251126  0.357036  1
  H  H47  1  0.072429  0.893569  0.373846  1
  H  H48  1  0.076439  0.612133  0.341525  1
  H  H49  1  0.820865  0.999641  0.385441  1
  H  H50  1  0.825017  0.639347  0.401228  1
  H  H51  1  0.823538  0.282295  0.418104  1
  H  H52  1  0.571909  0.961716  0.410040  1
  H  H53  1  0.574054  0.601351  0.425559  1
  H  H54  1  0.572859  0.319373  0.393498  1
  H  H55  1  0.323174  1.032691  0.389123  1
  H  H56  1  0.324155  0.676274  0.406186  1
  H  H57  1  0.323633  0.316078  0.421731  1
  H  H58  1  0.071929  0.996039  0.413701  1
  H  H59  1  0.074605  0.713682  0.381748  1
  H  H60  1  0.073891  0.354055  0.397490  1
  H  H61  1  0.822208  1.101351  0.425559  1
  H  H62  1  0.823403  0.819373  0.393498  1
  H  H63  1  0.824353  0.461716  0.410040  1
  H  H64  1  0.571245  1.139347  0.401228  1
  H  H65  1  0.572725  0.782295  0.418104  1
  H  H66  1  0.575397  0.499641  0.385441  1
  H  H67  1  0.321657  0.213682  0.381748  1
  H  H68  1  0.322371  0.854055  0.397490  1
  H  H69  1  0.324333  0.496039  0.413701  1
  H  H70  1  0.072107  0.176274  0.406186  1
  H  H71  1  0.072629  0.816078  0.421731  1
  H  H72  1  0.073089  0.532691  0.389123  1
  H  H73  1  0.823138  0.921546  0.433592  1
  H  H74  1  0.824036  0.563170  0.449883  1
  H  H75  1  0.823122  0.203528  0.465668  1
  H  H76  1  0.572488  0.883744  0.457945  1
  H  H77  1  0.573134  0.523788  0.473628  1
  H  H78  1  0.572469  0.241795  0.441497  1
  H  H79  1  0.322777  0.956858  0.437627  1
  H  H80  1  0.323842  0.598137  0.453728  1
  H  H81  1  0.323808  0.238478  0.469623  1
  H  H82  1  0.072584  0.918334  0.461696  1
  H  H83  1  0.072758  0.635819  0.429465  1
  H  H84  1  0.073044  0.278076  0.445976  1
  H  H85  1  0.823128  1.023788  0.473628  1
  H  H86  1  0.823793  0.741795  0.441497  1
  H  H87  1  0.823774  0.383744  0.457945  1
  H  H88  1  0.572226  1.063170  0.449883  1
  H  H89  1  0.573141  0.703528  0.465668  1
  H  H90  1  0.573124  0.421546  0.433592  1
  H  H91  1  0.323504  1.135819  0.429465  1
  H  H92  1  0.323218  0.778076  0.445976  1
  H  H93  1  0.323679  0.418334  0.461696  1
  H  H94  1  0.072420  1.098137  0.453728  1
  H  H95  1  0.072454  0.738478  0.469623  1
  H  H96  1  0.073485  0.456858  0.437627  1
  H  H97  1  0.823469  0.844289  0.481648  1
  H  H98  1  0.823761  0.485639  0.497863  1
  H  H99  1  0.823216  1.125959  0.513619  1
  H  H100  1  0.572861  0.805730  0.505746  1
  H  H101  1  0.573116  0.446731  0.521763  1
  H  H102  1  0.572515  1.165221  0.489846  1
  H  H103  1  0.323216  0.880114  0.485899  1
  H  H104  1  0.323761  0.520434  0.501655  1
  H  H105  1  0.323469  1.161784  0.517870  1
  H  H106  1  0.072515  0.840852  0.509672  1
  H  H107  1  0.073116  0.559342  0.477755  1
  H  H108  1  0.072861  0.200343  0.493772  1
  H  H109  1  0.823147  0.946731  0.521763  1
  H  H110  1  0.823747  0.665221  0.489846  1
  H  H111  1  0.823401  0.305730  0.505746  1
  H  H112  1  0.572501  0.985639  0.497863  1
  H  H113  1  0.573046  0.625959  0.513619  1
  H  H114  1  0.572794  0.344289  0.481648  1
  H  H115  1  0.323147  1.059342  0.477755  1
  H  H116  1  0.323401  0.700343  0.493772  1
  H  H117  1  0.323747  0.340852  0.509672  1
  H  H118  1  0.072501  1.020434  0.501655  1
  H  H119  1  0.072794  0.661784  0.517870  1
  H  H120  1  0.073046  0.380114  0.485899  1
  H  H121  1  0.823808  0.767594  0.529895  1
  H  H122  1  0.823842  0.407935  0.545790  1
  H  H123  1  0.822777  1.049214  0.561891  1
  H  H124  1  0.573044  0.727997  0.553542  1
  H  H125  1  0.572758  0.370254  0.570053  1
  H  H126  1  0.572584  1.087739  0.537822  1
  H  H127  1  0.323122  0.802545  0.533850  1
  H  H128  1  0.324036  0.442903  0.549635  1
  H  H129  1  0.323138  1.084527  0.565926  1
  H  H130  1  0.072469  0.764278  0.558021  1
  H  H131  1  0.073134  0.482285  0.525890  1
  H  H132  1  0.072488  1.122329  0.541573  1
  H  H133  1  0.823504  0.870254  0.570053  1
  H  H134  1  0.823679  0.587739  0.537822  1
  H  H135  1  0.823218  0.227997  0.553542  1
  H  H136  1  0.572420  0.907935  0.545790  1
  H  H137  1  0.573485  0.549214  0.561891  1
  H  H138  1  0.572454  0.267594  0.529895  1
  H  H139  1  0.323128  0.982285  0.525890  1
  H  H140  1  0.323774  0.622329  0.541573  1
  H  H141  1  0.323793  0.264278  0.558021  1
  H  H142  1  0.072226  0.942903  0.549635  1
  H  H143  1  0.073124  0.584527  0.565926  1
  H  H144  1  0.073141  0.302545  0.533850  1
  H  H145  1  0.823633  0.689995  0.577787  1
  H  H146  1  0.824155  0.329799  0.593332  1
  H  H147  1  0.823174  0.973382  0.610395  1
  H  H148  1  0.573891  0.652017  0.602028  1
  H  H149  1  0.574605  0.292391  0.617770  1
  H  H150  1  0.571929  1.010034  0.585817  1
  H  H151  1  0.323538  0.723778  0.581414  1
  H  H152  1  0.325017  0.366726  0.598290  1
  H  H153  1  0.320865  1.006432  0.614077  1
  H  H154  1  0.072859  0.686699  0.606020  1
  H  H155  1  0.074054  0.404722  0.573959  1
  H  H156  1  0.071909  1.044357  0.589478  1
  H  H157  1  0.821657  0.792391  0.617770  1
  H  H158  1  0.824333  0.510034  0.585817  1
  H  H159  1  0.822371  1.152017  0.602028  1
  H  H160  1  0.572107  0.829799  0.593332  1
  H  H161  1  0.573089  0.473382  0.610395  1
  H  H162  1  0.572629  0.189995  0.577787  1
  H  H163  1  0.322208  0.904722  0.573959  1
  H  H164  1  0.324353  0.544357  0.589478  1
  H  H165  1  0.323403  0.186699  0.606020  1
  H  H166  1  0.071245  0.866726  0.598290  1
  H  H167  1  0.075397  0.506432  0.614077  1
  H  H168  1  0.072725  0.223778  0.581414  1
  H  H169  1  0.823834  0.612504  0.625672  1
  H  H170  1  0.821784  0.254946  0.642483  1
  H  H171  1  0.819823  0.893939  0.657993  1
  H  H172  1  0.570544  0.576692  0.651000  1
  H  H173  1  0.572342  0.213400  0.666005  1
  H  H174  1  0.571146  0.930870  0.632844  1
  H  H175  1  0.325679  0.645171  0.628942  1
  H  H176  1  0.328233  0.289464  0.645995  1
  H  H177  1  0.319244  0.925909  0.660477  1
  H  H178  1  0.078532  0.608936  0.653726  1
  H  H179  1  0.073861  0.324786  0.621087  1
  H  H180  1  0.068963  0.969348  0.638793  1
  H  H181  1  0.823920  0.713400  0.666005  1
  H  H182  1  0.825116  0.430870  0.632844  1
  H  H183  1  0.825719  1.076692  0.651000  1
  H  H184  1  0.574478  0.754946  0.642483  1
  H  H185  1  0.576439  0.393939  0.657993  1
  H  H186  1  0.572429  1.112504  0.625672  1
  H  H187  1  0.322402  0.824786  0.621087  1
  H  H188  1  0.327299  0.469348  0.638793  1
  H  H189  1  0.317730  1.108936  0.653726  1
  H  H190  1  0.068029  0.789464  0.645995  1
  H  H191  1  0.077018  0.425909  0.660477  1
  H  H192  1  0.070583  1.145171  0.628942  1
  H  H193  1  0.829116  0.535102  0.670984  1
  H  H194  1  0.833366  0.183828  0.691605  1
  H  H195  1  0.818742  0.809689  0.706439  1
  H  H196  1  0.586274  0.495883  0.698360  1
  H  H197  1  0.576346  1.121392  0.712598  1
  H  H198  1  0.567594  0.863240  0.682885  1
  H  H199  1  0.321814  0.571512  0.680184  1
  H  H200  1  0.315625  0.202648  0.695013  1
  H  H201  1  0.324728  0.820925  0.710236  1
  H  H202  1  0.065370  0.510810  0.702180  1
  H  H203  1  0.076037  0.247295  0.667325  1
  H  H204  1  0.072427  0.888915  0.686892  1
  H  H205  1  0.819916  0.621392  0.712598  1
  H  H206  1  0.828668  0.363240  0.682885  1
  H  H207  1  0.809988  0.995883  0.698360  1
  H  H208  1  0.562896  0.683828  0.691605  1
  H  H209  1  0.577520  0.309689  0.706439  1
  H  H210  1  0.567146  1.035102  0.670984  1
  H  H211  1  0.320225  0.747295  0.667325  1
  H  H212  1  0.323835  0.388915  0.686892  1
  H  H213  1  0.330892  1.010810  0.702180  1
  H  H214  1  0.080637  0.702648  0.695013  1
  H  H215  1  0.071535  0.320925  0.710236  1
  H  H216  1  0.074449  1.071512  0.680184  1
