# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.03100314
_cell_length_b   12.77740098
_cell_length_c   46.17239952
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.61579749
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H504
_cell_volume   13364.8997779
_cell_formula_units_Z   252
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  0.655532  0.194679  0.318514  1
  H  H2  1  0.155532  0.194679  0.318514  1
  H  H3  1  0.310569  0.144309  0.339347  1
  H  H4  1  0.488865  0.861346  0.318514  1
  H  H5  1  0.500495  0.245050  0.297680  1
  H  H6  1  0.643902  0.810975  0.339347  1
  H  H7  1  0.810569  0.144309  0.339347  1
  H  H8  1  0.988865  0.861346  0.318514  1
  H  H9  1  0.000495  0.245050  0.297680  1
  H  H10  1  0.143902  0.810975  0.339347  1
  H  H11  1  0.322199  0.528012  0.318514  1
  H  H12  1  0.333828  0.911716  0.297680  1
  H  H13  1  0.477236  0.477642  0.339347  1
  H  H14  1  0.667162  0.578383  0.297680  1
  H  H15  1  0.822199  0.528012  0.318514  1
  H  H16  1  0.833828  0.911716  0.297680  1
  H  H17  1  0.977236  0.477642  0.339347  1
  H  H18  1  0.167162  0.578383  0.297680  1
  H  H19  1  0.673876  0.011243  0.285653  1
  H  H20  1  0.173876  0.011243  0.285653  1
  H  H21  1  0.328913  0.960873  0.306486  1
  H  H22  1  0.507209  0.677910  0.285653  1
  H  H23  1  0.483950  0.910502  0.327320  1
  H  H24  1  0.662246  0.627540  0.306486  1
  H  H25  1  0.828913  0.960873  0.306486  1
  H  H26  1  0.007209  0.677910  0.285653  1
  H  H27  1  0.983950  0.910502  0.327320  1
  H  H28  1  0.162246  0.627540  0.306486  1
  H  H29  1  0.340542  0.344577  0.285653  1
  H  H30  1  0.317283  0.577169  0.327320  1
  H  H31  1  0.495579  0.294206  0.306486  1
  H  H32  1  0.650616  0.243836  0.327320  1
  H  H33  1  0.840542  0.344577  0.285653  1
  H  H34  1  0.817283  0.577169  0.327320  1
  H  H35  1  0.995579  0.294206  0.306486  1
  H  H36  1  0.150616  0.243836  0.327320  1
  H  H37  1  0.727236  0.977642  0.339347  1
  H  H38  1  0.227236  0.977642  0.339347  1
  H  H39  1  0.417162  0.078383  0.297680  1
  H  H40  1  0.560569  0.644309  0.339347  1
  H  H41  1  0.572199  0.028012  0.318514  1
  H  H42  1  0.750495  0.745050  0.297680  1
  H  H43  1  0.917162  0.078383  0.297680  1
  H  H44  1  0.060569  0.644309  0.339347  1
  H  H45  1  0.072199  0.028012  0.318514  1
  H  H46  1  0.250495  0.745050  0.297680  1
  H  H47  1  0.393902  0.310975  0.339347  1
  H  H48  1  0.405532  0.694679  0.318514  1
  H  H49  1  0.583828  0.411716  0.297680  1
  H  H50  1  0.738865  0.361346  0.318514  1
  H  H51  1  0.893902  0.310975  0.339347  1
  H  H52  1  0.905532  0.694679  0.318514  1
  H  H53  1  0.083828  0.411716  0.297680  1
  H  H54  1  0.238865  0.361346  0.318514  1
  H  H55  1  0.757209  0.177910  0.285653  1
  H  H56  1  0.257209  0.177910  0.285653  1
  H  H57  1  0.412246  0.127540  0.306486  1
  H  H58  1  0.590542  0.844577  0.285653  1
  H  H59  1  0.567283  0.077169  0.327320  1
  H  H60  1  0.745579  0.794206  0.306486  1
  H  H61  1  0.912246  0.127540  0.306486  1
  H  H62  1  0.090542  0.844577  0.285653  1
  H  H63  1  0.067283  0.077169  0.327320  1
  H  H64  1  0.245579  0.794206  0.306486  1
  H  H65  1  0.423876  0.511243  0.285653  1
  H  H66  1  0.400616  0.743836  0.327320  1
  H  H67  1  0.578913  0.460873  0.306486  1
  H  H68  1  0.733950  0.410502  0.327320  1
  H  H69  1  0.923876  0.511243  0.285653  1
  H  H70  1  0.900616  0.743836  0.327320  1
  H  H71  1  0.078913  0.460873  0.306486  1
  H  H72  1  0.233950  0.410502  0.327320  1
  H  H73  1  0.620643  0.043568  0.381014  1
  H  H74  1  0.120643  0.043568  0.381014  1
  H  H75  1  0.275680  0.993197  0.401847  1
  H  H76  1  0.453977  0.710234  0.381014  1
  H  H77  1  0.465606  0.093938  0.360180  1
  H  H78  1  0.609014  0.659864  0.401847  1
  H  H79  1  0.775680  0.993197  0.401847  1
  H  H80  1  0.953977  0.710234  0.381014  1
  H  H81  1  0.965606  0.093938  0.360180  1
  H  H82  1  0.109014  0.659864  0.401847  1
  H  H83  1  0.287310  0.376901  0.381014  1
  H  H84  1  0.298940  0.760605  0.360180  1
  H  H85  1  0.442347  0.326531  0.401847  1
  H  H86  1  0.632273  0.427272  0.360180  1
  H  H87  1  0.787310  0.376901  0.381014  1
  H  H88  1  0.798940  0.760605  0.360180  1
  H  H89  1  0.942347  0.326531  0.401847  1
  H  H90  1  0.132273  0.427272  0.360180  1
  H  H91  1  0.638987  0.860132  0.348153  1
  H  H92  1  0.138987  0.860132  0.348153  1
  H  H93  1  0.294024  0.809761  0.368986  1
  H  H94  1  0.472320  0.526799  0.348153  1
  H  H95  1  0.449061  0.759391  0.389820  1
  H  H96  1  0.627357  0.476428  0.368986  1
  H  H97  1  0.794024  0.809761  0.368986  1
  H  H98  1  0.972320  0.526799  0.348153  1
  H  H99  1  0.949061  0.759391  0.389820  1
  H  H100  1  0.127357  0.476428  0.368986  1
  H  H101  1  0.305653  0.193465  0.348153  1
  H  H102  1  0.282394  0.426058  0.389820  1
  H  H103  1  0.460691  0.143095  0.368986  1
  H  H104  1  0.615728  0.092724  0.389820  1
  H  H105  1  0.805653  0.193465  0.348153  1
  H  H106  1  0.782394  0.426058  0.389820  1
  H  H107  1  0.960691  0.143095  0.368986  1
  H  H108  1  0.115728  0.092724  0.389820  1
  H  H109  1  0.692347  0.826531  0.401847  1
  H  H110  1  0.192347  0.826531  0.401847  1
  H  H111  1  0.382273  0.927272  0.360180  1
  H  H112  1  0.525680  0.493197  0.401847  1
  H  H113  1  0.537310  0.876901  0.381014  1
  H  H114  1  0.715606  0.593938  0.360180  1
  H  H115  1  0.882273  0.927272  0.360180  1
  H  H116  1  0.025680  0.493197  0.401847  1
  H  H117  1  0.037310  0.876901  0.381014  1
  H  H118  1  0.215606  0.593938  0.360180  1
  H  H119  1  0.359014  0.159864  0.401847  1
  H  H120  1  0.370643  0.543568  0.381014  1
  H  H121  1  0.548940  0.260605  0.360180  1
  H  H122  1  0.703977  0.210234  0.381014  1
  H  H123  1  0.859014  0.159864  0.401847  1
  H  H124  1  0.870643  0.543568  0.381014  1
  H  H125  1  0.048940  0.260605  0.360180  1
  H  H126  1  0.203977  0.210234  0.381014  1
  H  H127  1  0.722320  0.026799  0.348153  1
  H  H128  1  0.222320  0.026799  0.348153  1
  H  H129  1  0.377357  0.976428  0.368986  1
  H  H130  1  0.555653  0.693465  0.348153  1
  H  H131  1  0.532394  0.926058  0.389820  1
  H  H132  1  0.710691  0.643095  0.368986  1
  H  H133  1  0.877357  0.976428  0.368986  1
  H  H134  1  0.055653  0.693465  0.348153  1
  H  H135  1  0.032394  0.926058  0.389820  1
  H  H136  1  0.210691  0.643095  0.368986  1
  H  H137  1  0.388987  0.360132  0.348153  1
  H  H138  1  0.365728  0.592724  0.389820  1
  H  H139  1  0.544024  0.309761  0.368986  1
  H  H140  1  0.699061  0.259391  0.389820  1
  H  H141  1  0.888987  0.360132  0.348153  1
  H  H142  1  0.865728  0.592724  0.389820  1
  H  H143  1  0.044024  0.309761  0.368986  1
  H  H144  1  0.199061  0.259391  0.389820  1
  H  H145  1  0.585754  0.892456  0.443514  1
  H  H146  1  0.085754  0.892456  0.443514  1
  H  H147  1  0.240791  0.842086  0.464347  1
  H  H148  1  0.419088  0.559123  0.443514  1
  H  H149  1  0.430717  0.942827  0.422680  1
  H  H150  1  0.574125  0.508752  0.464347  1
  H  H151  1  0.740791  0.842086  0.464347  1
  H  H152  1  0.919088  0.559123  0.443514  1
  H  H153  1  0.930717  0.942827  0.422680  1
  H  H154  1  0.074125  0.508752  0.464347  1
  H  H155  1  0.252421  0.225790  0.443514  1
  H  H156  1  0.264051  0.609493  0.422680  1
  H  H157  1  0.407458  0.175419  0.464347  1
  H  H158  1  0.597384  0.276160  0.422680  1
  H  H159  1  0.752421  0.225790  0.443514  1
  H  H160  1  0.764051  0.609493  0.422680  1
  H  H161  1  0.907458  0.175419  0.464347  1
  H  H162  1  0.097384  0.276160  0.422680  1
  H  H163  1  0.604098  0.709020  0.410653  1
  H  H164  1  0.104098  0.709020  0.410653  1
  H  H165  1  0.259135  0.658650  0.431486  1
  H  H166  1  0.437431  0.375687  0.410653  1
  H  H167  1  0.414172  0.608279  0.452320  1
  H  H168  1  0.592468  0.325317  0.431486  1
  H  H169  1  0.759135  0.658650  0.431486  1
  H  H170  1  0.937431  0.375687  0.410653  1
  H  H171  1  0.914172  0.608279  0.452320  1
  H  H172  1  0.092468  0.325317  0.431486  1
  H  H173  1  0.270765  0.042354  0.410653  1
  H  H174  1  0.247505  0.274946  0.452320  1
  H  H175  1  0.425802  0.991983  0.431486  1
  H  H176  1  0.580839  0.941613  0.452320  1
  H  H177  1  0.770765  0.042354  0.410653  1
  H  H178  1  0.747505  0.274946  0.452320  1
  H  H179  1  0.925802  0.991983  0.431486  1
  H  H180  1  0.080839  0.941613  0.452320  1
  H  H181  1  0.657458  0.675419  0.464347  1
  H  H182  1  0.157458  0.675419  0.464347  1
  H  H183  1  0.347384  0.776160  0.422680  1
  H  H184  1  0.490791  0.342086  0.464347  1
  H  H185  1  0.502421  0.725790  0.443514  1
  H  H186  1  0.680717  0.442827  0.422680  1
  H  H187  1  0.847384  0.776160  0.422680  1
  H  H188  1  0.990791  0.342086  0.464347  1
  H  H189  1  0.002421  0.725790  0.443514  1
  H  H190  1  0.180717  0.442827  0.422680  1
  H  H191  1  0.324125  0.008752  0.464347  1
  H  H192  1  0.335754  0.392456  0.443514  1
  H  H193  1  0.514051  0.109493  0.422680  1
  H  H194  1  0.669088  0.059123  0.443514  1
  H  H195  1  0.824125  0.008752  0.464347  1
  H  H196  1  0.835754  0.392456  0.443514  1
  H  H197  1  0.014051  0.109493  0.422680  1
  H  H198  1  0.169088  0.059123  0.443514  1
  H  H199  1  0.687431  0.875687  0.410653  1
  H  H200  1  0.187431  0.875687  0.410653  1
  H  H201  1  0.342468  0.825317  0.431486  1
  H  H202  1  0.520765  0.542354  0.410653  1
  H  H203  1  0.497505  0.774946  0.452320  1
  H  H204  1  0.675802  0.491983  0.431486  1
  H  H205  1  0.842468  0.825317  0.431486  1
  H  H206  1  0.020765  0.542354  0.410653  1
  H  H207  1  0.997505  0.774946  0.452320  1
  H  H208  1  0.175802  0.491983  0.431486  1
  H  H209  1  0.354098  0.209020  0.410653  1
  H  H210  1  0.330839  0.441613  0.452320  1
  H  H211  1  0.509135  0.158650  0.431486  1
  H  H212  1  0.664172  0.108279  0.452320  1
  H  H213  1  0.854098  0.209020  0.410653  1
  H  H214  1  0.830839  0.441613  0.452320  1
  H  H215  1  0.009135  0.158650  0.431486  1
  H  H216  1  0.164172  0.108279  0.452320  1
  H  H217  1  0.550866  0.741345  0.506014  1
  H  H218  1  0.050866  0.741345  0.506014  1
  H  H219  1  0.205903  0.690974  0.526847  1
  H  H220  1  0.384199  0.408011  0.506014  1
  H  H221  1  0.395828  0.791715  0.485180  1
  H  H222  1  0.539236  0.357641  0.526847  1
  H  H223  1  0.705903  0.690974  0.526847  1
  H  H224  1  0.884199  0.408011  0.506014  1
  H  H225  1  0.895828  0.791715  0.485180  1
  H  H226  1  0.039236  0.357641  0.526847  1
  H  H227  1  0.217532  0.074678  0.506014  1
  H  H228  1  0.229162  0.458382  0.485180  1
  H  H229  1  0.372569  0.024308  0.526847  1
  H  H230  1  0.562495  0.125049  0.485180  1
  H  H231  1  0.717532  0.074678  0.506014  1
  H  H232  1  0.729162  0.458382  0.485180  1
  H  H233  1  0.872569  0.024308  0.526847  1
  H  H234  1  0.062495  0.125049  0.485180  1
  H  H235  1  0.569209  0.557909  0.473153  1
  H  H236  1  0.069209  0.557909  0.473153  1
  H  H237  1  0.224246  0.507538  0.493986  1
  H  H238  1  0.402542  0.224576  0.473153  1
  H  H239  1  0.379283  0.457168  0.514820  1
  H  H240  1  0.557579  0.174205  0.493986  1
  H  H241  1  0.724246  0.507538  0.493986  1
  H  H242  1  0.902542  0.224576  0.473153  1
  H  H243  1  0.879283  0.457168  0.514820  1
  H  H244  1  0.057579  0.174205  0.493986  1
  H  H245  1  0.235876  0.891242  0.473153  1
  H  H246  1  0.212617  0.123835  0.514820  1
  H  H247  1  0.390913  0.840872  0.493986  1
  H  H248  1  0.545950  0.790501  0.514820  1
  H  H249  1  0.735876  0.891242  0.473153  1
  H  H250  1  0.712617  0.123835  0.514820  1
  H  H251  1  0.890913  0.840872  0.493986  1
  H  H252  1  0.045950  0.790501  0.514820  1
  H  H253  1  0.622569  0.524308  0.526847  1
  H  H254  1  0.122569  0.524308  0.526847  1
  H  H255  1  0.312495  0.625049  0.485180  1
  H  H256  1  0.455903  0.190974  0.526847  1
  H  H257  1  0.467532  0.574678  0.506014  1
  H  H258  1  0.645828  0.291715  0.485180  1
  H  H259  1  0.812495  0.625049  0.485180  1
  H  H260  1  0.955903  0.190974  0.526847  1
  H  H261  1  0.967532  0.574678  0.506014  1
  H  H262  1  0.145828  0.291715  0.485180  1
  H  H263  1  0.289236  0.857641  0.526847  1
  H  H264  1  0.300866  0.241345  0.506014  1
  H  H265  1  0.479162  0.958382  0.485180  1
  H  H266  1  0.634199  0.908011  0.506014  1
  H  H267  1  0.789236  0.857641  0.526847  1
  H  H268  1  0.800866  0.241345  0.506014  1
  H  H269  1  0.979162  0.958382  0.485180  1
  H  H270  1  0.134199  0.908011  0.506014  1
  H  H271  1  0.652542  0.724576  0.473153  1
  H  H272  1  0.152542  0.724576  0.473153  1
  H  H273  1  0.307579  0.674205  0.493986  1
  H  H274  1  0.485876  0.391242  0.473153  1
  H  H275  1  0.462617  0.623835  0.514820  1
  H  H276  1  0.640913  0.340872  0.493986  1
  H  H277  1  0.807579  0.674205  0.493986  1
  H  H278  1  0.985876  0.391242  0.473153  1
  H  H279  1  0.962617  0.623835  0.514820  1
  H  H280  1  0.140913  0.340872  0.493986  1
  H  H281  1  0.319209  0.057909  0.473153  1
  H  H282  1  0.295950  0.290501  0.514820  1
  H  H283  1  0.474246  0.007538  0.493986  1
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  H  H503  1  0.869580  0.554204  0.681486  1
  H  H504  1  0.024617  0.503834  0.702320  1
