# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.00144119
_cell_length_b   20.60110906
_cell_length_c   47.43075646
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.29920997
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H162
_cell_volume   15826.0700763
_cell_formula_units_Z   81
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  0.464030  0.740490  0.298942  1
  H  H2  1  0.797363  0.407156  0.298942  1
  H  H3  1  0.681449  0.721781  0.330688  1
  H  H4  1  0.072740  0.731135  0.314815  1
  H  H5  1  0.406073  0.397802  0.314815  1
  H  H6  1  0.739406  0.064468  0.314815  1
  H  H7  1  0.130697  0.073823  0.298942  1
  H  H8  1  0.014783  0.388447  0.330688  1
  H  H9  1  0.348116  0.055114  0.330688  1
  H  H10  1  0.391557  0.580059  0.288360  1
  H  H11  1  0.724890  0.246726  0.288360  1
  H  H12  1  0.608976  0.561350  0.320106  1
  H  H13  1  0.000267  0.570705  0.304233  1
  H  H14  1  0.333600  0.237371  0.304233  1
  H  H15  1  0.666933  0.904038  0.304233  1
  H  H16  1  0.058224  0.913393  0.288360  1
  H  H17  1  0.942310  0.228017  0.320106  1
  H  H18  1  0.275643  0.894684  0.320106  1
  H  H19  1  0.290159  0.712426  0.346561  1
  H  H20  1  0.623492  0.379093  0.346561  1
  H  H21  1  0.507578  0.693717  0.378307  1
  H  H22  1  0.898868  0.703071  0.362434  1
  H  H23  1  0.232202  0.369738  0.362434  1
  H  H24  1  0.565535  0.036405  0.362434  1
  H  H25  1  0.956826  0.045759  0.346561  1
  H  H26  1  0.840911  0.360384  0.378307  1
  H  H27  1  0.174245  0.027050  0.378307  1
  H  H28  1  0.217686  0.551996  0.335979  1
  H  H29  1  0.551019  0.218662  0.335979  1
  H  H30  1  0.435105  0.533287  0.367725  1
  H  H31  1  0.826395  0.542641  0.351852  1
  H  H32  1  0.159729  0.209308  0.351852  1
  H  H33  1  0.493062  0.875974  0.351852  1
  H  H34  1  0.884352  0.885329  0.335979  1
  H  H35  1  0.768438  0.199953  0.367725  1
  H  H36  1  0.101772  0.866620  0.367725  1
  H  H37  1  0.116288  0.684362  0.394180  1
  H  H38  1  0.449621  0.351029  0.394180  1
  H  H39  1  0.333707  0.665653  0.425926  1
  H  H40  1  0.724997  0.675008  0.410053  1
  H  H41  1  0.058330  0.341675  0.410053  1
  H  H42  1  0.391664  0.008341  0.410053  1
  H  H43  1  0.782954  0.017696  0.394180  1
  H  H44  1  0.667040  0.332320  0.425926  1
  H  H45  1  0.000373  0.998987  0.425926  1
  H  H46  1  0.043814  0.523932  0.383598  1
  H  H47  1  0.377148  0.190599  0.383598  1
  H  H48  1  0.261234  0.505223  0.415344  1
  H  H49  1  0.652524  0.514578  0.399471  1
  H  H50  1  0.985857  0.181244  0.399471  1
  H  H51  1  0.319191  0.847911  0.399471  1
  H  H52  1  0.710481  0.857265  0.383598  1
  H  H53  1  0.594567  0.171890  0.415344  1
  H  H54  1  0.927900  0.838556  0.415344  1
  H  H55  1  0.942416  0.656299  0.441799  1
  H  H56  1  0.275750  0.322965  0.441799  1
  H  H57  1  0.159835  0.637590  0.473545  1
  H  H58  1  0.551126  0.646944  0.457672  1
  H  H59  1  0.884459  0.313611  0.457672  1
  H  H60  1  0.217792  0.980278  0.457672  1
  H  H61  1  0.609083  0.989632  0.441799  1
  H  H62  1  0.493169  0.304256  0.473545  1
  H  H63  1  0.826502  0.970923  0.473545  1
  H  H64  1  0.869943  0.495868  0.431217  1
  H  H65  1  0.203277  0.162535  0.431217  1
  H  H66  1  0.087362  0.477159  0.462963  1
  H  H67  1  0.478653  0.486514  0.447090  1
  H  H68  1  0.811986  0.153181  0.447090  1
  H  H69  1  0.145319  0.819847  0.447090  1
  H  H70  1  0.536610  0.829202  0.431217  1
  H  H71  1  0.420696  0.143826  0.462963  1
  H  H72  1  0.754029  0.810493  0.462963  1
  H  H73  1  0.768545  0.628235  0.489418  1
  H  H74  1  0.101878  0.294902  0.489418  1
  H  H75  1  0.985964  0.609526  0.521164  1
  H  H76  1  0.377255  0.618881  0.505291  1
  H  H77  1  0.710588  0.285547  0.505291  1
  H  H78  1  0.043921  0.952214  0.505291  1
  H  H79  1  0.435212  0.961569  0.489418  1
  H  H80  1  0.319297  0.276193  0.521164  1
  H  H81  1  0.652631  0.942859  0.521164  1
  H  H82  1  0.696072  0.467805  0.478836  1
  H  H83  1  0.029405  0.134472  0.478836  1
  H  H84  1  0.913491  0.449096  0.510582  1
  H  H85  1  0.304781  0.458450  0.494709  1
  H  H86  1  0.638115  0.125117  0.494709  1
  H  H87  1  0.971448  0.791784  0.494709  1
  H  H88  1  0.362739  0.801138  0.478836  1
  H  H89  1  0.246824  0.115762  0.510582  1
  H  H90  1  0.580158  0.782429  0.510582  1
  H  H91  1  0.594674  0.600172  0.537037  1
  H  H92  1  0.928007  0.266838  0.537037  1
  H  H93  1  0.812093  0.581463  0.568783  1
  H  H94  1  0.203383  0.590817  0.552910  1
  H  H95  1  0.536717  0.257484  0.552910  1
  H  H96  1  0.870050  0.924150  0.552910  1
  H  H97  1  0.261340  0.933505  0.537037  1
  H  H98  1  0.145426  0.248129  0.568783  1
  H  H99  1  0.478759  0.914796  0.568783  1
  H  H100  1  0.522201  0.439741  0.526455  1
  H  H101  1  0.855534  0.106408  0.526455  1
  H  H102  1  0.739620  0.421032  0.558201  1
  H  H103  1  0.130910  0.430387  0.542328  1
  H  H104  1  0.464243  0.097053  0.542328  1
  H  H105  1  0.797577  0.763720  0.542328  1
  H  H106  1  0.188867  0.773075  0.526455  1
  H  H107  1  0.072953  0.087699  0.558201  1
  H  H108  1  0.406286  0.754366  0.558201  1
  H  H109  1  0.420802  0.572108  0.584656  1
  H  H110  1  0.754136  0.238775  0.584656  1
  H  H111  1  0.638221  0.553399  0.616402  1
  H  H112  1  0.029512  0.562753  0.600529  1
  H  H113  1  0.362845  0.229420  0.600529  1
  H  H114  1  0.696179  0.896087  0.600529  1
  H  H115  1  0.087469  0.905441  0.584656  1
  H  H116  1  0.971555  0.220066  0.616402  1
  H  H117  1  0.304888  0.886732  0.616402  1
  H  H118  1  0.348329  0.411678  0.574074  1
  H  H119  1  0.681663  0.078344  0.574074  1
  H  H120  1  0.565748  0.392969  0.605820  1
  H  H121  1  0.957039  0.402323  0.589947  1
  H  H122  1  0.290372  0.068990  0.589947  1
  H  H123  1  0.623706  0.735656  0.589947  1
  H  H124  1  0.014996  0.745011  0.574074  1
  H  H125  1  0.899082  0.059635  0.605820  1
  H  H126  1  0.232415  0.726302  0.605820  1
  H  H127  1  0.246931  0.544044  0.632275  1
  H  H128  1  0.580264  0.210711  0.632275  1
  H  H129  1  0.464350  0.525335  0.664021  1
  H  H130  1  0.855641  0.534690  0.648148  1
  H  H131  1  0.188974  0.201356  0.648148  1
  H  H132  1  0.522307  0.868023  0.648148  1
  H  H133  1  0.913598  0.877378  0.632275  1
  H  H134  1  0.797683  0.192002  0.664021  1
  H  H135  1  0.131017  0.858669  0.664021  1
  H  H136  1  0.174458  0.383614  0.621693  1
  H  H137  1  0.507791  0.050281  0.621693  1
  H  H138  1  0.391877  0.364905  0.653439  1
  H  H139  1  0.783168  0.374260  0.637566  1
  H  H140  1  0.116501  0.040926  0.637566  1
  H  H141  1  0.449834  0.707593  0.637566  1
  H  H142  1  0.841125  0.716947  0.621693  1
  H  H143  1  0.725210  0.031572  0.653439  1
  H  H144  1  0.058544  0.698238  0.653439  1
  H  H145  1  0.073060  0.515981  0.679894  1
  H  H146  1  0.406393  0.182647  0.679894  1
  H  H147  1  0.290479  0.497272  0.711640  1
  H  H148  1  0.681769  0.506626  0.695767  1
  H  H149  1  0.015103  0.173293  0.695767  1
  H  H150  1  0.348436  0.839960  0.695767  1
  H  H151  1  0.739726  0.849314  0.679894  1
  H  H152  1  0.623812  0.163938  0.711640  1
  H  H153  1  0.957146  0.830605  0.711640  1
  H  H154  1  0.000587  0.355550  0.669312  1
  H  H155  1  0.333920  0.022217  0.669312  1
  H  H156  1  0.218006  0.336841  0.701058  1
  H  H157  1  0.609296  0.346196  0.685185  1
  H  H158  1  0.942630  0.012863  0.685185  1
  H  H159  1  0.275963  0.679529  0.685185  1
  H  H160  1  0.667253  0.688884  0.669312  1
  H  H161  1  0.551339  0.003508  0.701058  1
  H  H162  1  0.884672  0.670175  0.701058  1
