# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.31127044
_cell_length_b   14.53756701
_cell_length_c   47.99235350
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.90402940
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   7184.85279032
_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  0.473406  0.127684  0.290704  1
  H  H2  1  0.517716  0.748031  0.341986  1
  H  H3  1  0.495561  0.437857  0.316345  1
  H  H4  1  0.806739  0.794351  0.290704  1
  H  H5  1  0.851050  0.414697  0.341986  1
  H  H6  1  0.140073  0.461018  0.290704  1
  H  H7  1  0.828895  0.104524  0.316345  1
  H  H8  1  0.184383  0.081364  0.341986  1
  H  H9  1  0.162228  0.771191  0.316345  1
  H  H10  1  0.343832  0.313651  0.269336  1
  H  H11  1  0.388143  0.933997  0.320619  1
  H  H12  1  0.365987  0.623824  0.294977  1
  H  H13  1  0.677166  0.980318  0.269336  1
  H  H14  1  0.721476  0.600664  0.320619  1
  H  H15  1  0.010499  0.646985  0.269336  1
  H  H16  1  0.699321  0.290491  0.294977  1
  H  H17  1  0.054809  0.267331  0.320619  1
  H  H18  1  0.032654  0.957158  0.294977  1
  H  H19  1  0.347342  0.362790  0.273399  1
  H  H20  1  0.391653  0.983136  0.324681  1
  H  H21  1  0.369497  0.672963  0.299040  1
  H  H22  1  0.680675  0.029456  0.273399  1
  H  H23  1  0.724986  0.649803  0.324681  1
  H  H24  1  0.014009  0.696123  0.273399  1
  H  H25  1  0.702831  0.339630  0.299040  1
  H  H26  1  0.058319  0.316469  0.324681  1
  H  H27  1  0.036164  0.006296  0.299040  1
  H  H28  1  0.476916  0.176823  0.294766  1
  H  H29  1  0.521226  0.797169  0.346048  1
  H  H30  1  0.499071  0.486996  0.320407  1
  H  H31  1  0.810249  0.843490  0.294766  1
  H  H32  1  0.854560  0.463836  0.346048  1
  H  H33  1  0.143583  0.510156  0.294766  1
  H  H34  1  0.832404  0.153663  0.320407  1
  H  H35  1  0.187893  0.130502  0.346048  1
  H  H36  1  0.165738  0.820329  0.320407  1
  H  H37  1  0.539872  0.058204  0.367627  1
  H  H38  1  0.584182  0.678550  0.418909  1
  H  H39  1  0.562027  0.368377  0.393268  1
  H  H40  1  0.873205  0.724870  0.367627  1
  H  H41  1  0.917515  0.345216  0.418909  1
  H  H42  1  0.206538  0.391537  0.367627  1
  H  H43  1  0.895360  0.035043  0.393268  1
  H  H44  1  0.250849  0.011883  0.418909  1
  H  H45  1  0.228694  0.701710  0.393268  1
  H  H46  1  0.410298  0.244170  0.346260  1
  H  H47  1  0.454608  0.864517  0.397542  1
  H  H48  1  0.432453  0.554344  0.371901  1
  H  H49  1  0.743631  0.910837  0.346260  1
  H  H50  1  0.787942  0.531183  0.397542  1
  H  H51  1  0.076965  0.577504  0.346260  1
  H  H52  1  0.765786  0.221010  0.371901  1
  H  H53  1  0.121275  0.197850  0.397542  1
  H  H54  1  0.099120  0.887677  0.371901  1
  H  H55  1  0.413808  0.293309  0.350322  1
  H  H56  1  0.458118  0.913655  0.401604  1
  H  H57  1  0.435963  0.603482  0.375963  1
  H  H58  1  0.747141  0.959976  0.350322  1
  H  H59  1  0.791452  0.580322  0.401604  1
  H  H60  1  0.080474  0.626642  0.350322  1
  H  H61  1  0.769296  0.270149  0.375963  1
  H  H62  1  0.124785  0.246989  0.401604  1
  H  H63  1  0.102630  0.936815  0.375963  1
  H  H64  1  0.543382  0.107342  0.371689  1
  H  H65  1  0.587692  0.727688  0.422971  1
  H  H66  1  0.565537  0.417515  0.397330  1
  H  H67  1  0.876715  0.774009  0.371689  1
  H  H68  1  0.921025  0.394355  0.422971  1
  H  H69  1  0.210048  0.440675  0.371689  1
  H  H70  1  0.898870  0.084182  0.397330  1
  H  H71  1  0.254359  0.061022  0.422971  1
  H  H72  1  0.232203  0.750849  0.397330  1
  H  H73  1  0.606337  0.988723  0.444550  1
  H  H74  1  0.650648  0.609069  0.495832  1
  H  H75  1  0.628493  0.298896  0.470191  1
  H  H76  1  0.939671  0.655389  0.444550  1
  H  H77  1  0.983981  0.275736  0.495832  1
  H  H78  1  0.273004  0.322056  0.444550  1
  H  H79  1  0.961826  0.965563  0.470191  1
  H  H80  1  0.317314  0.942402  0.495832  1
  H  H81  1  0.295159  0.632229  0.470191  1
  H  H82  1  0.476764  0.174690  0.423183  1
  H  H83  1  0.521074  0.795036  0.474465  1
  H  H84  1  0.498919  0.484863  0.448824  1
  H  H85  1  0.810097  0.841356  0.423183  1
  H  H86  1  0.854407  0.461702  0.474465  1
  H  H87  1  0.143430  0.508023  0.423183  1
  H  H88  1  0.832252  0.151529  0.448824  1
  H  H89  1  0.187741  0.128369  0.474465  1
  H  H90  1  0.165585  0.818196  0.448824  1
  H  H91  1  0.480273  0.223828  0.427245  1
  H  H92  1  0.524584  0.844174  0.478527  1
  H  H93  1  0.502429  0.534001  0.452886  1
  H  H94  1  0.813607  0.890495  0.427245  1
  H  H95  1  0.857917  0.510841  0.478527  1
  H  H96  1  0.146940  0.557162  0.427245  1
  H  H97  1  0.835762  0.200668  0.452886  1
  H  H98  1  0.191251  0.177508  0.478527  1
  H  H99  1  0.169095  0.867335  0.452886  1
  H  H100  1  0.609847  0.037861  0.448612  1
  H  H101  1  0.654158  0.658207  0.499894  1
  H  H102  1  0.632002  0.348034  0.474253  1
  H  H103  1  0.943181  0.704528  0.448612  1
  H  H104  1  0.987491  0.324874  0.499894  1
  H  H105  1  0.276514  0.371195  0.448612  1
  H  H106  1  0.965336  0.014701  0.474253  1
  H  H107  1  0.320824  0.991541  0.499894  1
  H  H108  1  0.298669  0.681368  0.474253  1
  H  H109  1  0.672803  0.919242  0.521473  1
  H  H110  1  0.717113  0.539588  0.572755  1
  H  H111  1  0.694958  0.229415  0.547114  1
  H  H112  1  0.006136  0.585909  0.521473  1
  H  H113  1  0.050447  0.206255  0.572755  1
  H  H114  1  0.339470  0.252575  0.521473  1
  H  H115  1  0.028292  0.896082  0.547114  1
  H  H116  1  0.383780  0.872921  0.572755  1
  H  H117  1  0.361625  0.562748  0.547114  1
  H  H118  1  0.543229  0.105209  0.500106  1
  H  H119  1  0.587540  0.725555  0.551388  1
  H  H120  1  0.565384  0.415382  0.525747  1
  H  H121  1  0.876563  0.771876  0.500106  1
  H  H122  1  0.920873  0.392222  0.551388  1
  H  H123  1  0.209896  0.438542  0.500106  1
  H  H124  1  0.898718  0.082049  0.525747  1
  H  H125  1  0.254206  0.058888  0.551388  1
  H  H126  1  0.232051  0.748715  0.525747  1
  H  H127  1  0.546739  0.154347  0.504168  1
  H  H128  1  0.591050  0.774694  0.555450  1
  H  H129  1  0.568894  0.464521  0.529809  1
  H  H130  1  0.880072  0.821014  0.504168  1
  H  H131  1  0.924383  0.441360  0.555450  1
  H  H132  1  0.213406  0.487681  0.504168  1
  H  H133  1  0.902228  0.131187  0.529809  1
  H  H134  1  0.257716  0.108027  0.555450  1
  H  H135  1  0.235561  0.797854  0.529809  1
  H  H136  1  0.676313  0.968381  0.525535  1
  H  H137  1  0.720623  0.588727  0.576817  1
  H  H138  1  0.698468  0.278554  0.551176  1
  H  H139  1  0.009646  0.635047  0.525535  1
  H  H140  1  0.053957  0.255393  0.576817  1
  H  H141  1  0.342980  0.301714  0.525535  1
  H  H142  1  0.031801  0.945220  0.551176  1
  H  H143  1  0.387290  0.922060  0.576817  1
  H  H144  1  0.365135  0.611887  0.551176  1
  H  H145  1  0.739269  0.849761  0.598396  1
  H  H146  1  0.783579  0.470107  0.649678  1
  H  H147  1  0.761424  0.159934  0.624037  1
  H  H148  1  0.072602  0.516428  0.598396  1
  H  H149  1  0.116912  0.136774  0.649678  1
  H  H150  1  0.405935  0.183095  0.598396  1
  H  H151  1  0.094757  0.826601  0.624037  1
  H  H152  1  0.450246  0.803441  0.649678  1
  H  H153  1  0.428091  0.493268  0.624037  1
  H  H154  1  0.609695  0.035728  0.577029  1
  H  H155  1  0.654005  0.656074  0.628311  1
  H  H156  1  0.631850  0.345901  0.602670  1
  H  H157  1  0.943028  0.702395  0.577029  1
  H  H158  1  0.987339  0.322741  0.628311  1
  H  H159  1  0.276362  0.369061  0.577029  1
  H  H160  1  0.965183  0.012568  0.602670  1
  H  H161  1  0.320672  0.989408  0.628311  1
  H  H162  1  0.298517  0.679235  0.602670  1
  H  H163  1  0.613205  0.084867  0.581091  1
  H  H164  1  0.657515  0.705213  0.632373  1
  H  H165  1  0.635360  0.395040  0.606732  1
  H  H166  1  0.946538  0.751533  0.581091  1
  H  H167  1  0.990849  0.371879  0.632373  1
  H  H168  1  0.279871  0.418200  0.581091  1
  H  H169  1  0.968693  0.061706  0.606732  1
  H  H170  1  0.324182  0.038546  0.632373  1
  H  H171  1  0.302027  0.728373  0.606732  1
  H  H172  1  0.742779  0.898900  0.602458  1
  H  H173  1  0.787089  0.519246  0.653740  1
  H  H174  1  0.764934  0.209073  0.628099  1
  H  H175  1  0.076112  0.565566  0.602458  1
  H  H176  1  0.120422  0.185913  0.653740  1
  H  H177  1  0.409445  0.232233  0.602458  1
  H  H178  1  0.098267  0.875740  0.628099  1
  H  H179  1  0.453756  0.852579  0.653740  1
  H  H180  1  0.431600  0.542406  0.628099  1
  H  H181  1  0.805734  0.780280  0.675319  1
  H  H182  1  0.850045  0.400627  0.726601  1
  H  H183  1  0.827890  0.090453  0.700960  1
  H  H184  1  0.139068  0.446947  0.675319  1
  H  H185  1  0.183378  0.067293  0.726601  1
  H  H186  1  0.472401  0.113614  0.675319  1
  H  H187  1  0.161223  0.757120  0.700960  1
  H  H188  1  0.516711  0.733960  0.726601  1
  H  H189  1  0.494556  0.423787  0.700960  1
  H  H190  1  0.676161  0.966247  0.653952  1
  H  H191  1  0.720471  0.586593  0.705234  1
  H  H192  1  0.698316  0.276420  0.679593  1
  H  H193  1  0.009494  0.632914  0.653952  1
  H  H194  1  0.053804  0.253260  0.705234  1
  H  H195  1  0.342827  0.299581  0.653952  1
  H  H196  1  0.031649  0.943087  0.679593  1
  H  H197  1  0.387138  0.919927  0.705234  1
  H  H198  1  0.364982  0.609754  0.679593  1
  H  H199  1  0.679670  0.015386  0.658014  1
  H  H200  1  0.723981  0.635732  0.709296  1
  H  H201  1  0.701826  0.325559  0.683655  1
  H  H202  1  0.013004  0.682053  0.658014  1
  H  H203  1  0.057314  0.302399  0.709296  1
  H  H204  1  0.346337  0.348719  0.658014  1
  H  H205  1  0.035159  0.992226  0.683655  1
  H  H206  1  0.390648  0.969065  0.709296  1
  H  H207  1  0.368492  0.658892  0.683655  1
  H  H208  1  0.809244  0.829419  0.679381  1
  H  H209  1  0.853555  0.449765  0.730664  1
  H  H210  1  0.831399  0.139592  0.705023  1
  H  H211  1  0.142578  0.496086  0.679381  1
  H  H212  1  0.186888  0.116432  0.730664  1
  H  H213  1  0.475911  0.162752  0.679381  1
  H  H214  1  0.164733  0.806259  0.705023  1
  H  H215  1  0.520221  0.783098  0.730664  1
  H  H216  1  0.498066  0.472925  0.705023  1
