# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.12969188
_cell_length_b   22.22430580
_cell_length_c   46.57785613
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.52661928
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H504
_cell_volume   13364.8997005
_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  0.985253  0.797928  0.299882  1
  H  H2  1  0.651919  0.631262  0.299882  1
  H  H3  1  0.604580  0.785114  0.320715  1
  H  H4  1  0.985253  0.297928  0.299882  1
  H  H5  1  0.937914  0.451780  0.320715  1
  H  H6  1  0.890575  0.605632  0.341549  1
  H  H7  1  0.318586  0.464595  0.299882  1
  H  H8  1  0.271247  0.618447  0.320715  1
  H  H9  1  0.223908  0.772299  0.341549  1
  H  H10  1  0.651919  0.131262  0.299882  1
  H  H11  1  0.604580  0.285114  0.320715  1
  H  H12  1  0.557241  0.438966  0.341549  1
  H  H13  1  0.937914  0.951780  0.320715  1
  H  H14  1  0.890575  0.105632  0.341549  1
  H  H15  1  0.318586  0.964595  0.299882  1
  H  H16  1  0.271247  0.118447  0.320715  1
  H  H17  1  0.223908  0.272299  0.341549  1
  H  H18  1  0.557241  0.938966  0.341549  1
  H  H19  1  0.022587  0.676592  0.283451  1
  H  H20  1  0.689254  0.509925  0.283451  1
  H  H21  1  0.641915  0.663777  0.304285  1
  H  H22  1  0.022587  0.176592  0.283451  1
  H  H23  1  0.975248  0.330444  0.304285  1
  H  H24  1  0.927909  0.484296  0.325118  1
  H  H25  1  0.355920  0.343259  0.283451  1
  H  H26  1  0.308581  0.497110  0.304285  1
  H  H27  1  0.261242  0.650962  0.325118  1
  H  H28  1  0.689254  0.009925  0.283451  1
  H  H29  1  0.641915  0.163777  0.304285  1
  H  H30  1  0.594576  0.317629  0.325118  1
  H  H31  1  0.975248  0.830444  0.304285  1
  H  H32  1  0.927909  0.984296  0.325118  1
  H  H33  1  0.355920  0.843259  0.283451  1
  H  H34  1  0.308581  0.997110  0.304285  1
  H  H35  1  0.261242  0.150962  0.325118  1
  H  H36  1  0.594576  0.817629  0.325118  1
  H  H37  1  0.057241  0.688966  0.341549  1
  H  H38  1  0.723908  0.522299  0.341549  1
  H  H39  1  0.818586  0.714595  0.299882  1
  H  H40  1  0.057241  0.188966  0.341549  1
  H  H41  1  0.151919  0.381262  0.299882  1
  H  H42  1  0.104580  0.535114  0.320715  1
  H  H43  1  0.390575  0.355632  0.341549  1
  H  H44  1  0.485253  0.547928  0.299882  1
  H  H45  1  0.437914  0.701780  0.320715  1
  H  H46  1  0.723908  0.022299  0.341549  1
  H  H47  1  0.818586  0.214595  0.299882  1
  H  H48  1  0.771247  0.368447  0.320715  1
  H  H49  1  0.151919  0.881262  0.299882  1
  H  H50  1  0.104580  0.035114  0.320715  1
  H  H51  1  0.390575  0.855632  0.341549  1
  H  H52  1  0.485253  0.047928  0.299882  1
  H  H53  1  0.437914  0.201780  0.320715  1
  H  H54  1  0.771247  0.868447  0.320715  1
  H  H55  1  0.189254  0.759925  0.283451  1
  H  H56  1  0.855920  0.593259  0.283451  1
  H  H57  1  0.808581  0.747110  0.304285  1
  H  H58  1  0.189254  0.259925  0.283451  1
  H  H59  1  0.141915  0.413777  0.304285  1
  H  H60  1  0.094576  0.567629  0.325118  1
  H  H61  1  0.522587  0.426592  0.283451  1
  H  H62  1  0.475248  0.580444  0.304285  1
  H  H63  1  0.427909  0.734296  0.325118  1
  H  H64  1  0.855920  0.093259  0.283451  1
  H  H65  1  0.808581  0.247110  0.304285  1
  H  H66  1  0.761242  0.400962  0.325118  1
  H  H67  1  0.141915  0.913777  0.304285  1
  H  H68  1  0.094576  0.067629  0.325118  1
  H  H69  1  0.522587  0.926592  0.283451  1
  H  H70  1  0.475248  0.080444  0.304285  1
  H  H71  1  0.427909  0.234296  0.325118  1
  H  H72  1  0.761242  0.900962  0.325118  1
  H  H73  1  0.843236  0.759484  0.362382  1
  H  H74  1  0.509902  0.592817  0.362382  1
  H  H75  1  0.462563  0.746669  0.383215  1
  H  H76  1  0.843236  0.259484  0.362382  1
  H  H77  1  0.795897  0.413336  0.383215  1
  H  H78  1  0.748558  0.567188  0.404049  1
  H  H79  1  0.176569  0.426151  0.362382  1
  H  H80  1  0.129230  0.580003  0.383215  1
  H  H81  1  0.081891  0.733855  0.404049  1
  H  H82  1  0.509902  0.092817  0.362382  1
  H  H83  1  0.462563  0.246669  0.383215  1
  H  H84  1  0.415224  0.400521  0.404049  1
  H  H85  1  0.795897  0.913336  0.383215  1
  H  H86  1  0.748558  0.067188  0.404049  1
  H  H87  1  0.176569  0.926151  0.362382  1
  H  H88  1  0.129230  0.080003  0.383215  1
  H  H89  1  0.081891  0.233855  0.404049  1
  H  H90  1  0.415224  0.900521  0.404049  1
  H  H91  1  0.880570  0.638148  0.345951  1
  H  H92  1  0.547237  0.471481  0.345951  1
  H  H93  1  0.499898  0.625333  0.366785  1
  H  H94  1  0.880570  0.138148  0.345951  1
  H  H95  1  0.833231  0.291999  0.366785  1
  H  H96  1  0.785892  0.445851  0.387618  1
  H  H97  1  0.213903  0.304814  0.345951  1
  H  H98  1  0.166564  0.458666  0.366785  1
  H  H99  1  0.119225  0.612518  0.387618  1
  H  H100  1  0.547237  0.971481  0.345951  1
  H  H101  1  0.499898  0.125333  0.366785  1
  H  H102  1  0.452559  0.279185  0.387618  1
  H  H103  1  0.833231  0.791999  0.366785  1
  H  H104  1  0.785892  0.945851  0.387618  1
  H  H105  1  0.213903  0.804814  0.345951  1
  H  H106  1  0.166564  0.958666  0.366785  1
  H  H107  1  0.119225  0.112518  0.387618  1
  H  H108  1  0.452559  0.779185  0.387618  1
  H  H109  1  0.915224  0.650521  0.404049  1
  H  H110  1  0.581891  0.483855  0.404049  1
  H  H111  1  0.676569  0.676151  0.362382  1
  H  H112  1  0.915224  0.150521  0.404049  1
  H  H113  1  0.009902  0.342817  0.362382  1
  H  H114  1  0.962563  0.496669  0.383215  1
  H  H115  1  0.248558  0.317188  0.404049  1
  H  H116  1  0.343236  0.509484  0.362382  1
  H  H117  1  0.295897  0.663336  0.383215  1
  H  H118  1  0.581891  0.983855  0.404049  1
  H  H119  1  0.676569  0.176151  0.362382  1
  H  H120  1  0.629230  0.330003  0.383215  1
  H  H121  1  0.009902  0.842817  0.362382  1
  H  H122  1  0.962563  0.996669  0.383215  1
  H  H123  1  0.248558  0.817188  0.404049  1
  H  H124  1  0.343236  0.009484  0.362382  1
  H  H125  1  0.295897  0.163336  0.383215  1
  H  H126  1  0.629230  0.830003  0.383215  1
  H  H127  1  0.047237  0.721481  0.345951  1
  H  H128  1  0.713903  0.554814  0.345951  1
  H  H129  1  0.666564  0.708666  0.366785  1
  H  H130  1  0.047237  0.221481  0.345951  1
  H  H131  1  0.999898  0.375333  0.366785  1
  H  H132  1  0.952559  0.529185  0.387618  1
  H  H133  1  0.380570  0.388148  0.345951  1
  H  H134  1  0.333231  0.541999  0.366785  1
  H  H135  1  0.285892  0.695851  0.387618  1
  H  H136  1  0.713903  0.054814  0.345951  1
  H  H137  1  0.666564  0.208666  0.366785  1
  H  H138  1  0.619225  0.362518  0.387618  1
  H  H139  1  0.999898  0.875333  0.366785  1
  H  H140  1  0.952559  0.029185  0.387618  1
  H  H141  1  0.380570  0.888148  0.345951  1
  H  H142  1  0.333231  0.041999  0.366785  1
  H  H143  1  0.285892  0.195851  0.387618  1
  H  H144  1  0.619225  0.862518  0.387618  1
  H  H145  1  0.701219  0.721040  0.424882  1
  H  H146  1  0.367885  0.554373  0.424882  1
  H  H147  1  0.320546  0.708225  0.445715  1
  H  H148  1  0.701219  0.221040  0.424882  1
  H  H149  1  0.653879  0.374892  0.445715  1
  H  H150  1  0.606540  0.528744  0.466549  1
  H  H151  1  0.034552  0.387707  0.424882  1
  H  H152  1  0.987213  0.541558  0.445715  1
  H  H153  1  0.939874  0.695410  0.466549  1
  H  H154  1  0.367885  0.054373  0.424882  1
  H  H155  1  0.320546  0.208225  0.445715  1
  H  H156  1  0.273207  0.362077  0.466549  1
  H  H157  1  0.653879  0.874892  0.445715  1
  H  H158  1  0.606540  0.028744  0.466549  1
  H  H159  1  0.034552  0.887707  0.424882  1
  H  H160  1  0.987213  0.041558  0.445715  1
  H  H161  1  0.939874  0.195410  0.466549  1
  H  H162  1  0.273207  0.862077  0.466549  1
  H  H163  1  0.738553  0.599703  0.408451  1
  H  H164  1  0.405219  0.433037  0.408451  1
  H  H165  1  0.357880  0.586889  0.429285  1
  H  H166  1  0.738553  0.099703  0.408451  1
  H  H167  1  0.691214  0.253555  0.429285  1
  H  H168  1  0.643875  0.407407  0.450118  1
  H  H169  1  0.071886  0.266370  0.408451  1
  H  H170  1  0.024547  0.420222  0.429285  1
  H  H171  1  0.977208  0.574074  0.450118  1
  H  H172  1  0.405219  0.933037  0.408451  1
  H  H173  1  0.357880  0.086889  0.429285  1
  H  H174  1  0.310541  0.240740  0.450118  1
  H  H175  1  0.691214  0.753555  0.429285  1
  H  H176  1  0.643875  0.907407  0.450118  1
  H  H177  1  0.071886  0.766370  0.408451  1
  H  H178  1  0.024547  0.920222  0.429285  1
  H  H179  1  0.977208  0.074074  0.450118  1
  H  H180  1  0.310541  0.740740  0.450118  1
  H  H181  1  0.773207  0.612077  0.466549  1
  H  H182  1  0.439874  0.445410  0.466549  1
  H  H183  1  0.534552  0.637707  0.424882  1
  H  H184  1  0.773207  0.112077  0.466549  1
  H  H185  1  0.867885  0.304373  0.424882  1
  H  H186  1  0.820546  0.458225  0.445715  1
  H  H187  1  0.106540  0.278744  0.466549  1
  H  H188  1  0.201219  0.471040  0.424882  1
  H  H189  1  0.153879  0.624892  0.445715  1
  H  H190  1  0.439874  0.945410  0.466549  1
  H  H191  1  0.534552  0.137707  0.424882  1
  H  H192  1  0.487213  0.291558  0.445715  1
  H  H193  1  0.867885  0.804373  0.424882  1
  H  H194  1  0.820546  0.958225  0.445715  1
  H  H195  1  0.106540  0.778744  0.466549  1
  H  H196  1  0.201219  0.971040  0.424882  1
  H  H197  1  0.153879  0.124892  0.445715  1
  H  H198  1  0.487213  0.791558  0.445715  1
  H  H199  1  0.905219  0.683037  0.408451  1
  H  H200  1  0.571886  0.516370  0.408451  1
  H  H201  1  0.524547  0.670222  0.429285  1
  H  H202  1  0.905219  0.183037  0.408451  1
  H  H203  1  0.857880  0.336889  0.429285  1
  H  H204  1  0.810541  0.490740  0.450118  1
  H  H205  1  0.238553  0.349703  0.408451  1
  H  H206  1  0.191214  0.503555  0.429285  1
  H  H207  1  0.143875  0.657407  0.450118  1
  H  H208  1  0.571886  0.016370  0.408451  1
  H  H209  1  0.524547  0.170222  0.429285  1
  H  H210  1  0.477208  0.324074  0.450118  1
  H  H211  1  0.857880  0.836889  0.429285  1
  H  H212  1  0.810541  0.990740  0.450118  1
  H  H213  1  0.238553  0.849703  0.408451  1
  H  H214  1  0.191214  0.003555  0.429285  1
  H  H215  1  0.143875  0.157407  0.450118  1
  H  H216  1  0.477208  0.824074  0.450118  1
  H  H217  1  0.559201  0.682596  0.487382  1
  H  H218  1  0.225868  0.515929  0.487382  1
  H  H219  1  0.178529  0.669781  0.508215  1
  H  H220  1  0.559201  0.182596  0.487382  1
  H  H221  1  0.511862  0.336448  0.508215  1
  H  H222  1  0.464523  0.490299  0.529049  1
  H  H223  1  0.892535  0.349262  0.487382  1
  H  H224  1  0.845196  0.503114  0.508215  1
  H  H225  1  0.797857  0.656966  0.529049  1
  H  H226  1  0.225868  0.015929  0.487382  1
  H  H227  1  0.178529  0.169781  0.508215  1
  H  H228  1  0.131190  0.323633  0.529049  1
  H  H229  1  0.511862  0.836448  0.508215  1
  H  H230  1  0.464523  0.990299  0.529049  1
  H  H231  1  0.892535  0.849262  0.487382  1
  H  H232  1  0.845196  0.003114  0.508215  1
  H  H233  1  0.797857  0.156966  0.529049  1
  H  H234  1  0.131190  0.823633  0.529049  1
  H  H235  1  0.596536  0.561259  0.470951  1
  H  H236  1  0.263202  0.394592  0.470951  1
  H  H237  1  0.215863  0.548444  0.491785  1
  H  H238  1  0.596536  0.061259  0.470951  1
  H  H239  1  0.549197  0.215111  0.491785  1
  H  H240  1  0.501858  0.368963  0.512618  1
  H  H241  1  0.929869  0.227926  0.470951  1
  H  H242  1  0.882530  0.381778  0.491785  1
  H  H243  1  0.835191  0.535630  0.512618  1
  H  H244  1  0.263202  0.894592  0.470951  1
  H  H245  1  0.215863  0.048444  0.491785  1
  H  H246  1  0.168524  0.202296  0.512618  1
  H  H247  1  0.549197  0.715111  0.491785  1
  H  H248  1  0.501858  0.868963  0.512618  1
  H  H249  1  0.929869  0.727926  0.470951  1
  H  H250  1  0.882530  0.881778  0.491785  1
  H  H251  1  0.835191  0.035630  0.512618  1
  H  H252  1  0.168524  0.702296  0.512618  1
  H  H253  1  0.631190  0.573633  0.529049  1
  H  H254  1  0.297857  0.406966  0.529049  1
  H  H255  1  0.392535  0.599262  0.487382  1
  H  H256  1  0.631190  0.073633  0.529049  1
  H  H257  1  0.725868  0.265929  0.487382  1
  H  H258  1  0.678529  0.419781  0.508215  1
  H  H259  1  0.964523  0.240299  0.529049  1
  H  H260  1  0.059201  0.432596  0.487382  1
  H  H261  1  0.011862  0.586448  0.508215  1
  H  H262  1  0.297857  0.906966  0.529049  1
  H  H263  1  0.392535  0.099262  0.487382  1
  H  H264  1  0.345196  0.253114  0.508215  1
  H  H265  1  0.725868  0.765929  0.487382  1
  H  H266  1  0.678529  0.919781  0.508215  1
  H  H267  1  0.964523  0.740299  0.529049  1
  H  H268  1  0.059201  0.932596  0.487382  1
  H  H269  1  0.011862  0.086448  0.508215  1
  H  H270  1  0.345196  0.753114  0.508215  1
  H  H271  1  0.763202  0.644592  0.470951  1
  H  H272  1  0.429869  0.477926  0.470951  1
  H  H273  1  0.382530  0.631778  0.491785  1
  H  H274  1  0.763202  0.144592  0.470951  1
  H  H275  1  0.715863  0.298444  0.491785  1
  H  H276  1  0.668524  0.452296  0.512618  1
  H  H277  1  0.096536  0.311259  0.470951  1
  H  H278  1  0.049197  0.465111  0.491785  1
  H  H279  1  0.001858  0.618963  0.512618  1
  H  H280  1  0.429869  0.977926  0.470951  1
  H  H281  1  0.382530  0.131778  0.491785  1
  H  H282  1  0.335191  0.285630  0.512618  1
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  H  H503  1  0.575806  0.003630  0.700118  1
  H  H504  1  0.909139  0.670297  0.700118  1
