# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.00025982
_cell_length_b   9.09301728
_cell_length_c   49.20922564
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.44678195
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H192
_cell_volume   4785.11041491
_cell_formula_units_Z   96
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  0.115626  0.628376  0.345309  1
  H  H2  1  0.615626  0.128376  0.345309  1
  H  H3  1  0.689058  0.749309  0.306847  1
  H  H4  1  0.189058  0.249309  0.306847  1
  H  H5  1  0.928518  0.553715  0.312368  1
  H  H6  1  0.428518  0.053715  0.312368  1
  H  H7  1  0.501950  0.674649  0.273906  1
  H  H8  1  0.001950  0.174649  0.273906  1
  H  H9  1  0.396577  0.011353  0.303017  1
  H  H10  1  0.896577  0.511353  0.303017  1
  H  H11  1  0.823145  0.890420  0.341479  1
  H  H12  1  0.323145  0.390420  0.341479  1
  H  H13  1  0.209469  0.936692  0.270076  1
  H  H14  1  0.709469  0.436692  0.270076  1
  H  H15  1  0.636037  0.815759  0.308537  1
  H  H16  1  0.136037  0.315759  0.308537  1
  H  H17  1  0.975773  0.809776  0.287617  1
  H  H18  1  0.475773  0.309776  0.287617  1
  H  H19  1  0.402342  0.688843  0.326078  1
  H  H20  1  0.902342  0.188843  0.326078  1
  H  H21  1  0.215234  0.614182  0.293137  1
  H  H22  1  0.715234  0.114182  0.293137  1
  H  H23  1  0.641802  0.493249  0.331598  1
  H  H24  1  0.141802  0.993249  0.331598  1
  H  H25  1  0.109861  0.950886  0.322248  1
  H  H26  1  0.609861  0.450886  0.322248  1
  H  H27  1  0.683292  0.071819  0.283786  1
  H  H28  1  0.183292  0.571819  0.283786  1
  H  H29  1  0.349321  0.755292  0.327768  1
  H  H30  1  0.849321  0.255292  0.327768  1
  H  H31  1  0.922753  0.876225  0.289307  1
  H  H32  1  0.422753  0.376225  0.289307  1
  H  H33  1  0.968763  0.386510  0.422232  1
  H  H34  1  0.468763  0.886510  0.422232  1
  H  H35  1  0.542194  0.507443  0.383770  1
  H  H36  1  0.042194  0.007443  0.383770  1
  H  H37  1  0.781655  0.311849  0.389291  1
  H  H38  1  0.281655  0.811849  0.389291  1
  H  H39  1  0.355087  0.432782  0.350829  1
  H  H40  1  0.855087  0.932782  0.350829  1
  H  H41  1  0.249713  0.769486  0.379940  1
  H  H42  1  0.749713  0.269486  0.379940  1
  H  H43  1  0.676282  0.648553  0.418402  1
  H  H44  1  0.176282  0.148553  0.418402  1
  H  H45  1  0.062606  0.694826  0.346999  1
  H  H46  1  0.562606  0.194826  0.346999  1
  H  H47  1  0.489174  0.573892  0.385460  1
  H  H48  1  0.989174  0.073892  0.385460  1
  H  H49  1  0.828910  0.567909  0.364540  1
  H  H50  1  0.328910  0.067909  0.364540  1
  H  H51  1  0.255479  0.446976  0.403001  1
  H  H52  1  0.755479  0.946976  0.403001  1
  H  H53  1  0.068371  0.372316  0.370060  1
  H  H54  1  0.568371  0.872316  0.370060  1
  H  H55  1  0.494939  0.251382  0.408521  1
  H  H56  1  0.994939  0.751382  0.408521  1
  H  H57  1  0.962998  0.709020  0.399171  1
  H  H58  1  0.462998  0.209020  0.399171  1
  H  H59  1  0.536429  0.829953  0.360709  1
  H  H60  1  0.036429  0.329953  0.360709  1
  H  H61  1  0.202458  0.513426  0.404691  1
  H  H62  1  0.702458  0.013426  0.404691  1
  H  H63  1  0.775890  0.634359  0.366230  1
  H  H64  1  0.275890  0.134359  0.366230  1
  H  H65  1  0.821900  0.144643  0.499155  1
  H  H66  1  0.321900  0.644643  0.499155  1
  H  H67  1  0.395331  0.265576  0.460693  1
  H  H68  1  0.895331  0.765576  0.460693  1
  H  H69  1  0.634792  0.069982  0.466214  1
  H  H70  1  0.134792  0.569982  0.466214  1
  H  H71  1  0.208224  0.190916  0.427752  1
  H  H72  1  0.708224  0.690916  0.427752  1
  H  H73  1  0.102850  0.527620  0.456863  1
  H  H74  1  0.602850  0.027620  0.456863  1
  H  H75  1  0.529419  0.406687  0.495325  1
  H  H76  1  0.029419  0.906687  0.495325  1
  H  H77  1  0.915743  0.452959  0.423922  1
  H  H78  1  0.415743  0.952959  0.423922  1
  H  H79  1  0.342311  0.332026  0.462383  1
  H  H80  1  0.842311  0.832026  0.462383  1
  H  H81  1  0.682047  0.326043  0.441463  1
  H  H82  1  0.182047  0.826043  0.441463  1
  H  H83  1  0.108616  0.205110  0.479924  1
  H  H84  1  0.608616  0.705110  0.479924  1
  H  H85  1  0.921508  0.130449  0.446983  1
  H  H86  1  0.421508  0.630449  0.446983  1
  H  H87  1  0.348076  0.009516  0.485445  1
  H  H88  1  0.848076  0.509516  0.485445  1
  H  H89  1  0.816135  0.467153  0.476094  1
  H  H90  1  0.316135  0.967153  0.476094  1
  H  H91  1  0.389566  0.588086  0.437632  1
  H  H92  1  0.889566  0.088086  0.437632  1
  H  H93  1  0.055595  0.271559  0.481614  1
  H  H94  1  0.555595  0.771559  0.481614  1
  H  H95  1  0.629027  0.392493  0.443153  1
  H  H96  1  0.129027  0.892493  0.443153  1
  H  H97  1  0.675037  0.902777  0.576078  1
  H  H98  1  0.175037  0.402777  0.576078  1
  H  H99  1  0.248468  0.023710  0.537617  1
  H  H100  1  0.748468  0.523710  0.537617  1
  H  H101  1  0.487929  0.828116  0.543137  1
  H  H102  1  0.987929  0.328116  0.543137  1
  H  H103  1  0.061360  0.949049  0.504675  1
  H  H104  1  0.561360  0.449049  0.504675  1
  H  H105  1  0.955987  0.285753  0.533786  1
  H  H106  1  0.455987  0.785753  0.533786  1
  H  H107  1  0.382556  0.164820  0.572248  1
  H  H108  1  0.882556  0.664820  0.572248  1
  H  H109  1  0.768879  0.211093  0.500845  1
  H  H110  1  0.268879  0.711093  0.500845  1
  H  H111  1  0.195448  0.090159  0.539307  1
  H  H112  1  0.695448  0.590159  0.539307  1
  H  H113  1  0.535184  0.084177  0.518386  1
  H  H114  1  0.035184  0.584177  0.518386  1
  H  H115  1  0.961752  0.963243  0.556847  1
  H  H116  1  0.461752  0.463243  0.556847  1
  H  H117  1  0.774645  0.888583  0.523906  1
  H  H118  1  0.274645  0.388583  0.523906  1
  H  H119  1  0.201213  0.767649  0.562368  1
  H  H120  1  0.701213  0.267649  0.562368  1
  H  H121  1  0.669271  0.225287  0.553017  1
  H  H122  1  0.169271  0.725287  0.553017  1
  H  H123  1  0.242703  0.346220  0.514555  1
  H  H124  1  0.742703  0.846220  0.514555  1
  H  H125  1  0.908732  0.029693  0.558537  1
  H  H126  1  0.408732  0.529693  0.558537  1
  H  H127  1  0.482164  0.150626  0.520076  1
  H  H128  1  0.982164  0.650626  0.520076  1
  H  H129  1  0.528173  0.660910  0.653001  1
  H  H130  1  0.028173  0.160910  0.653001  1
  H  H131  1  0.101605  0.781843  0.614540  1
  H  H132  1  0.601605  0.281843  0.614540  1
  H  H133  1  0.341066  0.586249  0.620060  1
  H  H134  1  0.841066  0.086249  0.620060  1
  H  H135  1  0.914497  0.707183  0.581598  1
  H  H136  1  0.414497  0.207183  0.581598  1
  H  H137  1  0.809124  0.043887  0.610709  1
  H  H138  1  0.309124  0.543887  0.610709  1
  H  H139  1  0.235692  0.922954  0.649171  1
  H  H140  1  0.735692  0.422954  0.649171  1
  H  H141  1  0.622016  0.969226  0.577768  1
  H  H142  1  0.122016  0.469226  0.577768  1
  H  H143  1  0.048585  0.848293  0.616230  1
  H  H144  1  0.548585  0.348293  0.616230  1
  H  H145  1  0.388321  0.842310  0.595309  1
  H  H146  1  0.888321  0.342310  0.595309  1
  H  H147  1  0.814889  0.721377  0.633770  1
  H  H148  1  0.314889  0.221377  0.633770  1
  H  H149  1  0.627781  0.646716  0.600829  1
  H  H150  1  0.127781  0.146716  0.600829  1
  H  H151  1  0.054350  0.525783  0.639291  1
  H  H152  1  0.554350  0.025783  0.639291  1
  H  H153  1  0.522408  0.983420  0.629940  1
  H  H154  1  0.022408  0.483420  0.629940  1
  H  H155  1  0.095840  0.104354  0.591479  1
  H  H156  1  0.595840  0.604354  0.591479  1
  H  H157  1  0.761869  0.787826  0.635460  1
  H  H158  1  0.261869  0.287826  0.635460  1
  H  H159  1  0.335300  0.908760  0.596999  1
  H  H160  1  0.835300  0.408760  0.596999  1
  H  H161  1  0.381310  0.419044  0.729924  1
  H  H162  1  0.881310  0.919044  0.729924  1
  H  H163  1  0.954742  0.539977  0.691463  1
  H  H164  1  0.454742  0.039977  0.691463  1
  H  H165  1  0.194203  0.344383  0.696983  1
  H  H166  1  0.694203  0.844383  0.696983  1
  H  H167  1  0.767634  0.465316  0.658521  1
  H  H168  1  0.267634  0.965316  0.658521  1
  H  H169  1  0.662261  0.802020  0.687632  1
  H  H170  1  0.162261  0.302020  0.687632  1
  H  H171  1  0.088829  0.681087  0.726094  1
  H  H172  1  0.588829  0.181087  0.726094  1
  H  H173  1  0.475153  0.727360  0.654691  1
  H  H174  1  0.975153  0.227360  0.654691  1
  H  H175  1  0.901722  0.606426  0.693153  1
  H  H176  1  0.401722  0.106426  0.693153  1
  H  H177  1  0.241458  0.600444  0.672232  1
  H  H178  1  0.741458  0.100444  0.672232  1
  H  H179  1  0.668026  0.479510  0.710693  1
  H  H180  1  0.168026  0.979510  0.710693  1
  H  H181  1  0.480918  0.404850  0.677752  1
  H  H182  1  0.980918  0.904850  0.677752  1
  H  H183  1  0.907487  0.283916  0.716214  1
  H  H184  1  0.407487  0.783916  0.716214  1
  H  H185  1  0.375545  0.741554  0.706863  1
  H  H186  1  0.875545  0.241554  0.706863  1
  H  H187  1  0.948977  0.862487  0.668402  1
  H  H188  1  0.448977  0.362487  0.668402  1
  H  H189  1  0.615006  0.545960  0.712383  1
  H  H190  1  0.115006  0.045960  0.712383  1
  H  H191  1  0.188437  0.666893  0.673922  1
  H  H192  1  0.688437  0.166893  0.673922  1
