# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.82308626
_cell_length_b   12.85534790
_cell_length_c   47.11332806
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.17047584
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H252
_cell_volume   6531.81804835
_cell_formula_units_Z   126
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  0.060524  0.394764  0.313101  1
  H  H2  1  0.393857  0.061430  0.313101  1
  H  H3  1  0.456240  0.437596  0.268656  1
  H  H4  1  0.727190  0.728097  0.313101  1
  H  H5  1  0.789574  0.104263  0.268656  1
  H  H6  1  0.758382  0.416180  0.290878  1
  H  H7  1  0.122907  0.770930  0.268656  1
  H  H8  1  0.091715  0.082847  0.290878  1
  H  H9  1  0.425049  0.749513  0.290878  1
  H  H10  1  0.034917  0.650829  0.331344  1
  H  H11  1  0.368250  0.317496  0.331344  1
  H  H12  1  0.430634  0.693662  0.286899  1
  H  H13  1  0.701584  0.984163  0.331344  1
  H  H14  1  0.763967  0.360329  0.286899  1
  H  H15  1  0.732775  0.672246  0.309122  1
  H  H16  1  0.097301  0.026995  0.286899  1
  H  H17  1  0.066109  0.338912  0.309122  1
  H  H18  1  0.399442  0.005579  0.309122  1
  H  H19  1  0.940645  0.593555  0.279767  1
  H  H20  1  0.273978  0.260222  0.279767  1
  H  H21  1  0.242786  0.572139  0.301990  1
  H  H22  1  0.607311  0.926888  0.279767  1
  H  H23  1  0.576120  0.238805  0.301990  1
  H  H24  1  0.544928  0.550722  0.324212  1
  H  H25  1  0.909453  0.905472  0.301990  1
  H  H26  1  0.878261  0.217389  0.324212  1
  H  H27  1  0.211594  0.884055  0.324212  1
  H  H28  1  0.946230  0.537703  0.275788  1
  H  H29  1  0.279563  0.204370  0.275788  1
  H  H30  1  0.248371  0.516287  0.298010  1
  H  H31  1  0.612896  0.871037  0.275788  1
  H  H32  1  0.581705  0.182954  0.298010  1
  H  H33  1  0.550513  0.494871  0.320233  1
  H  H34  1  0.915038  0.849620  0.298010  1
  H  H35  1  0.883846  0.161537  0.320233  1
  H  H36  1  0.217180  0.828204  0.320233  1
  H  H37  1  0.966949  0.330515  0.379767  1
  H  H38  1  0.300282  0.997181  0.379767  1
  H  H39  1  0.362665  0.373347  0.335323  1
  H  H40  1  0.633615  0.663848  0.379767  1
  H  H41  1  0.695999  0.040014  0.335323  1
  H  H42  1  0.664807  0.351931  0.357545  1
  H  H43  1  0.029332  0.706681  0.335323  1
  H  H44  1  0.998140  0.018598  0.357545  1
  H  H45  1  0.331474  0.685264  0.357545  1
  H  H46  1  0.941342  0.586580  0.398010  1
  H  H47  1  0.274675  0.253247  0.398010  1
  H  H48  1  0.337059  0.629413  0.353566  1
  H  H49  1  0.608009  0.919914  0.398010  1
  H  H50  1  0.670392  0.296080  0.353566  1
  H  H51  1  0.639200  0.607997  0.375788  1
  H  H52  1  0.003725  0.962746  0.353566  1
  H  H53  1  0.972534  0.274663  0.375788  1
  H  H54  1  0.305867  0.941330  0.375788  1
  H  H55  1  0.847069  0.529306  0.346434  1
  H  H56  1  0.180403  0.195972  0.346434  1
  H  H57  1  0.149211  0.507889  0.368656  1
  H  H58  1  0.513736  0.862639  0.346434  1
  H  H59  1  0.482544  0.174556  0.368656  1
  H  H60  1  0.451353  0.486473  0.390878  1
  H  H61  1  0.815878  0.841223  0.368656  1
  H  H62  1  0.784686  0.153140  0.390878  1
  H  H63  1  0.118019  0.819806  0.390878  1
  H  H64  1  0.852655  0.473454  0.342455  1
  H  H65  1  0.185988  0.140121  0.342455  1
  H  H66  1  0.154796  0.452038  0.364677  1
  H  H67  1  0.519321  0.806788  0.342455  1
  H  H68  1  0.488130  0.118705  0.364677  1
  H  H69  1  0.456938  0.430622  0.386899  1
  H  H70  1  0.821463  0.785371  0.364677  1
  H  H71  1  0.790271  0.097288  0.386899  1
  H  H72  1  0.123605  0.763955  0.386899  1
  H  H73  1  0.873373  0.266266  0.446434  1
  H  H74  1  0.206707  0.932932  0.446434  1
  H  H75  1  0.269090  0.309098  0.401990  1
  H  H76  1  0.540040  0.599599  0.446434  1
  H  H77  1  0.602424  0.975765  0.401990  1
  H  H78  1  0.571232  0.287682  0.424212  1
  H  H79  1  0.935757  0.642432  0.401990  1
  H  H80  1  0.904565  0.954349  0.424212  1
  H  H81  1  0.237898  0.621015  0.424212  1
  H  H82  1  0.847767  0.522331  0.464677  1
  H  H83  1  0.181100  0.188998  0.464677  1
  H  H84  1  0.243484  0.565164  0.420233  1
  H  H85  1  0.514434  0.855665  0.464677  1
  H  H86  1  0.576817  0.231831  0.420233  1
  H  H87  1  0.545625  0.543748  0.442455  1
  H  H88  1  0.910150  0.898497  0.420233  1
  H  H89  1  0.878959  0.210414  0.442455  1
  H  H90  1  0.212292  0.877081  0.442455  1
  H  H91  1  0.753494  0.465057  0.413101  1
  H  H92  1  0.086828  0.131723  0.413101  1
  H  H93  1  0.055636  0.443640  0.435323  1
  H  H94  1  0.420161  0.798390  0.413101  1
  H  H95  1  0.388969  0.110307  0.435323  1
  H  H96  1  0.357778  0.422224  0.457545  1
  H  H97  1  0.722303  0.776974  0.435323  1
  H  H98  1  0.691111  0.088891  0.457545  1
  H  H99  1  0.024444  0.755557  0.457545  1
  H  H100  1  0.759079  0.409205  0.409122  1
  H  H101  1  0.092413  0.075872  0.409122  1
  H  H102  1  0.061221  0.387789  0.431344  1
  H  H103  1  0.425746  0.742539  0.409122  1
  H  H104  1  0.394554  0.054456  0.431344  1
  H  H105  1  0.363363  0.366373  0.453566  1
  H  H106  1  0.727888  0.721122  0.431344  1
  H  H107  1  0.696696  0.033039  0.453566  1
  H  H108  1  0.030029  0.699706  0.453566  1
  H  H109  1  0.779798  0.202017  0.513101  1
  H  H110  1  0.113132  0.868683  0.513101  1
  H  H111  1  0.175515  0.244849  0.468656  1
  H  H112  1  0.446465  0.535350  0.513101  1
  H  H113  1  0.508848  0.911516  0.468656  1
  H  H114  1  0.477657  0.223433  0.490878  1
  H  H115  1  0.842182  0.578183  0.468656  1
  H  H116  1  0.810990  0.890100  0.490878  1
  H  H117  1  0.144323  0.556766  0.490878  1
  H  H118  1  0.754192  0.458082  0.531344  1
  H  H119  1  0.087525  0.124749  0.531344  1
  H  H120  1  0.149909  0.500915  0.486899  1
  H  H121  1  0.420858  0.791416  0.531344  1
  H  H122  1  0.483242  0.167582  0.486899  1
  H  H123  1  0.452050  0.479499  0.509122  1
  H  H124  1  0.816575  0.834248  0.486899  1
  H  H125  1  0.785384  0.146165  0.509122  1
  H  H126  1  0.118717  0.812832  0.509122  1
  H  H127  1  0.659919  0.400808  0.479767  1
  H  H128  1  0.993253  0.067474  0.479767  1
  H  H129  1  0.962061  0.379391  0.501990  1
  H  H130  1  0.326586  0.734141  0.479767  1
  H  H131  1  0.295394  0.046058  0.501990  1
  H  H132  1  0.264203  0.357975  0.524212  1
  H  H133  1  0.628728  0.712725  0.501990  1
  H  H134  1  0.597536  0.024642  0.524212  1
  H  H135  1  0.930869  0.691308  0.524212  1
  H  H136  1  0.665504  0.344956  0.475788  1
  H  H137  1  0.998838  0.011623  0.475788  1
  H  H138  1  0.967646  0.323540  0.498010  1
  H  H139  1  0.332171  0.678290  0.475788  1
  H  H140  1  0.300979  0.990207  0.498010  1
  H  H141  1  0.269788  0.302124  0.520233  1
  H  H142  1  0.634313  0.656873  0.498010  1
  H  H143  1  0.603121  0.968790  0.520233  1
  H  H144  1  0.936454  0.635457  0.520233  1
  H  H145  1  0.686223  0.137768  0.579767  1
  H  H146  1  0.019557  0.804434  0.579767  1
  H  H147  1  0.081940  0.180600  0.535323  1
  H  H148  1  0.352890  0.471101  0.579767  1
  H  H149  1  0.415273  0.847267  0.535323  1
  H  H150  1  0.384082  0.159184  0.557545  1
  H  H151  1  0.748607  0.513934  0.535323  1
  H  H152  1  0.717415  0.825851  0.557545  1
  H  H153  1  0.050748  0.492517  0.557545  1
  H  H154  1  0.660617  0.393833  0.598010  1
  H  H155  1  0.993950  0.060500  0.598010  1
  H  H156  1  0.056333  0.436666  0.553566  1
  H  H157  1  0.327283  0.727166  0.598010  1
  H  H158  1  0.389667  0.103333  0.553566  1
  H  H159  1  0.358475  0.415250  0.575788  1
  H  H160  1  0.723000  0.769999  0.553566  1
  H  H161  1  0.691808  0.081916  0.575788  1
  H  H162  1  0.025142  0.748583  0.575788  1
  H  H163  1  0.566344  0.336559  0.546434  1
  H  H164  1  0.899677  0.003225  0.546434  1
  H  H165  1  0.868486  0.315142  0.568656  1
  H  H166  1  0.233011  0.669892  0.546434  1
  H  H167  1  0.201819  0.981809  0.568656  1
  H  H168  1  0.170627  0.293726  0.590878  1
  H  H169  1  0.535152  0.648476  0.568656  1
  H  H170  1  0.503961  0.960393  0.590878  1
  H  H171  1  0.837294  0.627059  0.590878  1
  H  H172  1  0.571929  0.280707  0.542455  1
  H  H173  1  0.905263  0.947374  0.542455  1
  H  H174  1  0.874071  0.259291  0.564677  1
  H  H175  1  0.238596  0.614041  0.542455  1
  H  H176  1  0.207404  0.925958  0.564677  1
  H  H177  1  0.176213  0.237875  0.586899  1
  H  H178  1  0.540738  0.592624  0.564677  1
  H  H179  1  0.509546  0.904541  0.586899  1
  H  H180  1  0.842879  0.571208  0.586899  1
  H  H181  1  0.592648  0.073519  0.646434  1
  H  H182  1  0.925982  0.740185  0.646434  1
  H  H183  1  0.988365  0.116351  0.601990  1
  H  H184  1  0.259315  0.406852  0.646434  1
  H  H185  1  0.321698  0.783018  0.601990  1
  H  H186  1  0.290507  0.094935  0.624212  1
  H  H187  1  0.655032  0.449685  0.601990  1
  H  H188  1  0.623840  0.761602  0.624212  1
  H  H189  1  0.957173  0.428268  0.624212  1
  H  H190  1  0.567042  0.329584  0.664677  1
  H  H191  1  0.900375  0.996251  0.664677  1
  H  H192  1  0.962758  0.372417  0.620233  1
  H  H193  1  0.233708  0.662917  0.664677  1
  H  H194  1  0.296092  0.039083  0.620233  1
  H  H195  1  0.264900  0.351000  0.642455  1
  H  H196  1  0.629425  0.705750  0.620233  1
  H  H197  1  0.598233  0.017667  0.642455  1
  H  H198  1  0.931567  0.684334  0.642455  1
  H  H199  1  0.472769  0.272310  0.613101  1
  H  H200  1  0.806102  0.938976  0.613101  1
  H  H201  1  0.774911  0.250893  0.635323  1
  H  H202  1  0.139436  0.605643  0.613101  1
  H  H203  1  0.108244  0.917560  0.635323  1
  H  H204  1  0.077052  0.229477  0.657545  1
  H  H205  1  0.441577  0.584227  0.635323  1
  H  H206  1  0.410386  0.896144  0.657545  1
  H  H207  1  0.743719  0.562810  0.657545  1
  H  H208  1  0.478354  0.216458  0.609122  1
  H  H209  1  0.811688  0.883125  0.609122  1
  H  H210  1  0.780496  0.195042  0.631344  1
  H  H211  1  0.145021  0.549792  0.609122  1
  H  H212  1  0.113829  0.861709  0.631344  1
  H  H213  1  0.082637  0.173626  0.653566  1
  H  H214  1  0.447162  0.528375  0.631344  1
  H  H215  1  0.415971  0.840292  0.653566  1
  H  H216  1  0.749304  0.506959  0.653566  1
  H  H217  1  0.499073  0.009270  0.713101  1
  H  H218  1  0.832406  0.675936  0.713101  1
  H  H219  1  0.894790  0.052102  0.668656  1
  H  H220  1  0.165740  0.342603  0.713101  1
  H  H221  1  0.228123  0.718769  0.668656  1
  H  H222  1  0.196931  0.030686  0.690878  1
  H  H223  1  0.561456  0.385436  0.668656  1
  H  H224  1  0.530265  0.697353  0.690878  1
  H  H225  1  0.863598  0.364019  0.690878  1
  H  H226  1  0.473467  0.265335  0.731344  1
  H  H227  1  0.806800  0.932002  0.731344  1
  H  H228  1  0.869183  0.308168  0.686899  1
  H  H229  1  0.140133  0.598668  0.731344  1
  H  H230  1  0.202517  0.974834  0.686899  1
  H  H231  1  0.171325  0.286751  0.709122  1
  H  H232  1  0.535850  0.641501  0.686899  1
  H  H233  1  0.504658  0.953418  0.709122  1
  H  H234  1  0.837992  0.620085  0.709122  1
  H  H235  1  0.379194  0.208061  0.679767  1
  H  H236  1  0.712527  0.874727  0.679767  1
  H  H237  1  0.681336  0.186644  0.701990  1
  H  H238  1  0.045861  0.541394  0.679767  1
  H  H239  1  0.014669  0.853311  0.701990  1
  H  H240  1  0.983477  0.165228  0.724212  1
  H  H241  1  0.348002  0.519978  0.701990  1
  H  H242  1  0.316811  0.831895  0.724212  1
  H  H243  1  0.650144  0.498561  0.724212  1
  H  H244  1  0.384779  0.152209  0.675788  1
  H  H245  1  0.718112  0.818876  0.675788  1
  H  H246  1  0.686921  0.130793  0.698010  1
  H  H247  1  0.051446  0.485543  0.675788  1
  H  H248  1  0.020254  0.797460  0.698010  1
  H  H249  1  0.989062  0.109377  0.720233  1
  H  H250  1  0.353587  0.464126  0.698010  1
  H  H251  1  0.322396  0.776043  0.720233  1
  H  H252  1  0.655729  0.442710  0.720233  1
