# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.00956261
_cell_length_b   24.30942629
_cell_length_c   49.82589223
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.96938273
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H720
_cell_volume   14537.8567622
_cell_formula_units_Z   360
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  0.381006  0.971459  0.291452  1
  H  H2  1  0.353913  0.653960  0.260872  1
  H  H3  1  0.539712  0.649567  0.275152  1
  H  H4  1  0.714340  0.638125  0.291452  1
  H  H5  1  0.373045  0.316233  0.275152  1
  H  H6  1  0.547673  0.304792  0.291452  1
  H  H7  1  0.520579  0.987293  0.260872  1
  H  H8  1  0.706378  0.982900  0.275152  1
  H  H9  1  0.881006  0.971459  0.291452  1
  H  H10  1  0.853913  0.653960  0.260872  1
  H  H11  1  0.039712  0.649567  0.275152  1
  H  H12  1  0.214340  0.638125  0.291452  1
  H  H13  1  0.687246  0.320626  0.260872  1
  H  H14  1  0.873045  0.316233  0.275152  1
  H  H15  1  0.047673  0.304792  0.291452  1
  H  H16  1  0.020579  0.987293  0.260872  1
  H  H17  1  0.206378  0.982900  0.275152  1
  H  H18  1  0.187246  0.320626  0.260872  1
  H  H19  1  0.304236  0.140009  0.291562  1
  H  H20  1  0.281337  0.823590  0.261178  1
  H  H21  1  0.462454  0.812936  0.275569  1
  H  H22  1  0.637569  0.806675  0.291562  1
  H  H23  1  0.295788  0.479603  0.275569  1
  H  H24  1  0.470902  0.473342  0.291562  1
  H  H25  1  0.448003  0.156924  0.261178  1
  H  H26  1  0.629121  0.146270  0.275569  1
  H  H27  1  0.804236  0.140009  0.291562  1
  H  H28  1  0.781337  0.823590  0.261178  1
  H  H29  1  0.962454  0.812936  0.275569  1
  H  H30  1  0.137569  0.806675  0.291562  1
  H  H31  1  0.614670  0.490257  0.261178  1
  H  H32  1  0.795788  0.479603  0.275569  1
  H  H33  1  0.970902  0.473342  0.291562  1
  H  H34  1  0.948003  0.156924  0.261178  1
  H  H35  1  0.129121  0.146270  0.275569  1
  H  H36  1  0.114670  0.490257  0.261178  1
  H  H37  1  0.246654  0.229973  0.274687  1
  H  H38  1  0.258990  0.892423  0.291182  1
  H  H39  1  0.435600  0.882951  0.305861  1
  H  H40  1  0.579987  0.896639  0.274687  1
  H  H41  1  0.268933  0.549618  0.305861  1
  H  H42  1  0.413321  0.563306  0.274687  1
  H  H43  1  0.425656  0.225756  0.291182  1
  H  H44  1  0.602267  0.216284  0.305861  1
  H  H45  1  0.746654  0.229973  0.274687  1
  H  H46  1  0.758990  0.892423  0.291182  1
  H  H47  1  0.935600  0.882951  0.305861  1
  H  H48  1  0.079987  0.896639  0.274687  1
  H  H49  1  0.592323  0.559090  0.291182  1
  H  H50  1  0.768933  0.549618  0.305861  1
  H  H51  1  0.913321  0.563306  0.274687  1
  H  H52  1  0.925656  0.225756  0.291182  1
  H  H53  1  0.102267  0.216284  0.305861  1
  H  H54  1  0.092323  0.559090  0.291182  1
  H  H55  1  0.407741  0.063453  0.275211  1
  H  H56  1  0.424579  0.723885  0.290488  1
  H  H57  1  0.600535  0.717085  0.306464  1
  H  H58  1  0.741075  0.730120  0.275211  1
  H  H59  1  0.433868  0.383752  0.306464  1
  H  H60  1  0.574408  0.396786  0.275211  1
  H  H61  1  0.591246  0.057218  0.290488  1
  H  H62  1  0.767202  0.050418  0.306464  1
  H  H63  1  0.907741  0.063453  0.275211  1
  H  H64  1  0.924579  0.723885  0.290488  1
  H  H65  1  0.100535  0.717085  0.306464  1
  H  H66  1  0.241075  0.730120  0.275211  1
  H  H67  1  0.757912  0.390552  0.290488  1
  H  H68  1  0.933868  0.383752  0.306464  1
  H  H69  1  0.074408  0.396786  0.275211  1
  H  H70  1  0.091246  0.057218  0.290488  1
  H  H71  1  0.267202  0.050418  0.306464  1
  H  H72  1  0.257912  0.390552  0.290488  1
  H  H73  1  0.407450  0.952577  0.336621  1
  H  H74  1  0.391258  0.633158  0.306648  1
  H  H75  1  0.565433  0.627526  0.321777  1
  H  H76  1  0.740784  0.619244  0.336621  1
  H  H77  1  0.398766  0.294193  0.321777  1
  H  H78  1  0.574117  0.285911  0.336621  1
  H  H79  1  0.557925  0.966491  0.306648  1
  H  H80  1  0.732100  0.960860  0.321777  1
  H  H81  1  0.907450  0.952577  0.336621  1
  H  H82  1  0.891258  0.633158  0.306648  1
  H  H83  1  0.065433  0.627526  0.321777  1
  H  H84  1  0.240784  0.619244  0.336621  1
  H  H85  1  0.724591  0.299825  0.306648  1
  H  H86  1  0.898766  0.294193  0.321777  1
  H  H87  1  0.074117  0.285911  0.336621  1
  H  H88  1  0.057925  0.966491  0.306648  1
  H  H89  1  0.232100  0.960860  0.321777  1
  H  H90  1  0.224591  0.299825  0.306648  1
  H  H91  1  0.336458  0.119250  0.336842  1
  H  H92  1  0.315663  0.799415  0.306691  1
  H  H93  1  0.492425  0.793028  0.321836  1
  H  H94  1  0.669791  0.785917  0.336842  1
  H  H95  1  0.325758  0.459695  0.321836  1
  H  H96  1  0.503124  0.452584  0.336842  1
  H  H97  1  0.482329  0.132748  0.306691  1
  H  H98  1  0.659091  0.126361  0.321836  1
  H  H99  1  0.836458  0.119250  0.336842  1
  H  H100  1  0.815663  0.799415  0.306691  1
  H  H101  1  0.992425  0.793028  0.321836  1
  H  H102  1  0.169791  0.785917  0.336842  1
  H  H103  1  0.648996  0.466081  0.306691  1
  H  H104  1  0.825758  0.459695  0.321836  1
  H  H105  1  1.003124  0.452584  0.336842  1
  H  H106  1  0.982329  0.132748  0.306691  1
  H  H107  1  0.159091  0.126361  0.321836  1
  H  H108  1  0.148996  0.466081  0.306691  1
  H  H109  1  0.278560  0.210173  0.321342  1
  H  H110  1  0.288047  0.869519  0.336444  1
  H  H111  1  0.464306  0.862684  0.351598  1
  H  H112  1  0.611894  0.876839  0.321342  1
  H  H113  1  0.297639  0.529351  0.351598  1
  H  H114  1  0.445227  0.543506  0.321342  1
  H  H115  1  0.454713  0.202853  0.336444  1
  H  H116  1  0.630972  0.196017  0.351598  1
  H  H117  1  0.778560  0.210173  0.321342  1
  H  H118  1  0.788047  0.869519  0.336444  1
  H  H119  1  0.964306  0.862684  0.351598  1
  H  H120  1  0.111894  0.876839  0.321342  1
  H  H121  1  0.621380  0.536186  0.336444  1
  H  H122  1  0.797639  0.529351  0.351598  1
  H  H123  1  0.945227  0.543506  0.321342  1
  H  H124  1  0.954713  0.202853  0.336444  1
  H  H125  1  0.130972  0.196017  0.351598  1
  H  H126  1  0.121380  0.536186  0.336444  1
  H  H127  1  0.444789  0.042471  0.321163  1
  H  H128  1  0.454268  0.703125  0.336534  1
  H  H129  1  0.631418  0.696138  0.351770  1
  H  H130  1  0.778123  0.709137  0.321163  1
  H  H131  1  0.464752  0.362805  0.351770  1
  H  H132  1  0.611456  0.375804  0.321163  1
  H  H133  1  0.620934  0.036459  0.336534  1
  H  H134  1  0.798085  0.029471  0.351770  1
  H  H135  1  0.944789  0.042471  0.321163  1
  H  H136  1  0.954268  0.703125  0.336534  1
  H  H137  1  0.131418  0.696138  0.351770  1
  H  H138  1  0.278123  0.709137  0.321163  1
  H  H139  1  0.787601  0.369792  0.336534  1
  H  H140  1  0.964752  0.362805  0.351770  1
  H  H141  1  0.111456  0.375804  0.321163  1
  H  H142  1  0.120934  0.036459  0.336534  1
  H  H143  1  0.298085  0.029471  0.351770  1
  H  H144  1  0.287601  0.369792  0.336534  1
  H  H145  1  0.435082  0.932368  0.381828  1
  H  H146  1  0.416450  0.612895  0.351680  1
  H  H147  1  0.592268  0.605853  0.366651  1
  H  H148  1  0.768415  0.599034  0.381828  1
  H  H149  1  0.425601  0.272519  0.366651  1
  H  H150  1  0.601749  0.265701  0.381828  1
  H  H151  1  0.583117  0.946228  0.351680  1
  H  H152  1  0.758935  0.939186  0.366651  1
  H  H153  1  0.935082  0.932368  0.381828  1
  H  H154  1  0.916450  0.612895  0.351680  1
  H  H155  1  0.092268  0.605853  0.366651  1
  H  H156  1  0.268415  0.599034  0.381828  1
  H  H157  1  0.749783  0.279561  0.351680  1
  H  H158  1  0.925601  0.272519  0.366651  1
  H  H159  1  0.101749  0.265701  0.381828  1
  H  H160  1  0.083117  0.946228  0.351680  1
  H  H161  1  0.258935  0.939186  0.366651  1
  H  H162  1  0.249783  0.279561  0.351680  1
  H  H163  1  0.366346  0.098429  0.382314  1
  H  H164  1  0.346264  0.778788  0.351960  1
  H  H165  1  0.523094  0.772044  0.367128  1
  H  H166  1  0.699679  0.765095  0.382314  1
  H  H167  1  0.356428  0.438711  0.367128  1
  H  H168  1  0.533012  0.431762  0.382314  1
  H  H169  1  0.512931  0.112121  0.351960  1
  H  H170  1  0.689761  0.105377  0.367128  1
  H  H171  1  0.866346  0.098429  0.382314  1
  H  H172  1  0.846264  0.778788  0.351960  1
  H  H173  1  0.023094  0.772044  0.367128  1
  H  H174  1  0.199679  0.765095  0.382314  1
  H  H175  1  0.679598  0.445455  0.351960  1
  H  H176  1  0.856428  0.438711  0.367128  1
  H  H177  1  0.033012  0.431762  0.382314  1
  H  H178  1  0.012931  0.112121  0.351960  1
  H  H179  1  0.189761  0.105377  0.367128  1
  H  H180  1  0.179598  0.445455  0.351960  1
  H  H181  1  0.307307  0.189013  0.366754  1
  H  H182  1  0.317150  0.848725  0.381926  1
  H  H183  1  0.493583  0.841854  0.397110  1
  H  H184  1  0.640640  0.855680  0.366754  1
  H  H185  1  0.326917  0.508521  0.397110  1
  H  H186  1  0.473973  0.522347  0.366754  1
  H  H187  1  0.483817  0.182058  0.381926  1
  H  H188  1  0.660250  0.175187  0.397110  1
  H  H189  1  0.807307  0.189013  0.366754  1
  H  H190  1  0.817150  0.848725  0.381926  1
  H  H191  1  0.993583  0.841854  0.397110  1
  H  H192  1  0.140640  0.855680  0.366754  1
  H  H193  1  0.650483  0.515392  0.381926  1
  H  H194  1  0.826917  0.508521  0.397110  1
  H  H195  1  0.973973  0.522347  0.366754  1
  H  H196  1  0.983817  0.182058  0.381926  1
  H  H197  1  0.160250  0.175187  0.397110  1
  H  H198  1  0.150483  0.515392  0.381926  1
  H  H199  1  0.474311  0.022309  0.366801  1
  H  H200  1  0.484133  0.682134  0.381980  1
  H  H201  1  0.660506  0.675159  0.397157  1
  H  H202  1  0.807644  0.688976  0.366801  1
  H  H203  1  0.493840  0.341826  0.397157  1
  H  H204  1  0.640977  0.355643  0.366801  1
  H  H205  1  0.650799  1.015467  0.381980  1
  H  H206  1  0.827173  1.008493  0.397157  1
  H  H207  1  0.974311  0.022309  0.366801  1
  H  H208  1  0.984133  0.682134  0.381980  1
  H  H209  1  0.160506  0.675159  0.397157  1
  H  H210  1  0.307644  0.688976  0.366801  1
  H  H211  1  0.817466  0.348800  0.381980  1
  H  H212  1  0.993840  0.341826  0.397157  1
  H  H213  1  0.140977  0.355643  0.366801  1
  H  H214  1  0.150799  1.015467  0.381980  1
  H  H215  1  0.327173  1.008493  0.397157  1
  H  H216  1  0.317466  0.348800  0.381980  1
  H  H217  1  0.463960  0.911702  0.427171  1
  H  H218  1  0.444680  0.592155  0.396904  1
  H  H219  1  0.620946  0.585248  0.412026  1
  H  H220  1  0.797293  0.578368  0.427171  1
  H  H221  1  0.454280  0.251915  0.412026  1
  H  H222  1  0.630626  0.245035  0.427171  1
  H  H223  1  0.611347  0.925488  0.396904  1
  H  H224  1  0.787613  0.918582  0.412026  1
  H  H225  1  0.963960  0.911702  0.427171  1
  H  H226  1  0.944680  0.592155  0.396904  1
  H  H227  1  0.120946  0.585248  0.412026  1
  H  H228  1  0.297293  0.578368  0.427171  1
  H  H229  1  0.778013  0.258821  0.396904  1
  H  H230  1  0.954280  0.251915  0.412026  1
  H  H231  1  0.130626  0.245035  0.427171  1
  H  H232  1  0.111347  0.925488  0.396904  1
  H  H233  1  0.287613  0.918582  0.412026  1
  H  H234  1  0.278013  0.258821  0.396904  1
  H  H235  1  0.395829  0.077635  0.427776  1
  H  H236  1  0.376215  0.758125  0.397443  1
  H  H237  1  0.552693  0.751224  0.412613  1
  H  H238  1  0.729162  0.744302  0.427776  1
  H  H239  1  0.386027  0.417891  0.412613  1
  H  H240  1  0.562496  0.410969  0.427776  1
  H  H241  1  0.542882  0.091458  0.397443  1
  H  H242  1  0.719360  0.084557  0.412613  1
  H  H243  1  0.895829  0.077635  0.427776  1
  H  H244  1  0.876215  0.758125  0.397443  1
  H  H245  1  0.052693  0.751224  0.412613  1
  H  H246  1  0.229162  0.744302  0.427776  1
  H  H247  1  0.709549  0.424791  0.397443  1
  H  H248  1  0.886027  0.417891  0.412613  1
  H  H249  1  0.062496  0.410969  0.427776  1
  H  H250  1  0.042882  0.091458  0.397443  1
  H  H251  1  0.219360  0.084557  0.412613  1
  H  H252  1  0.209549  0.424791  0.397443  1
  H  H253  1  0.336688  0.168283  0.412272  1
  H  H254  1  0.346463  0.828009  0.427429  1
  H  H255  1  0.522904  0.821110  0.442592  1
  H  H256  1  0.670021  0.834950  0.412272  1
  H  H257  1  0.356237  0.487776  0.442592  1
  H  H258  1  0.503355  0.501617  0.412272  1
  H  H259  1  0.513130  0.161342  0.427429  1
  H  H260  1  0.689570  0.154443  0.442592  1
  H  H261  1  0.836688  0.168283  0.412272  1
  H  H262  1  0.846463  0.828009  0.427429  1
  H  H263  1  0.022904  0.821110  0.442592  1
  H  H264  1  0.170021  0.834950  0.412272  1
  H  H265  1  0.679797  0.494676  0.427429  1
  H  H266  1  0.856237  0.487776  0.442592  1
  H  H267  1  1.003355  0.501617  0.412272  1
  H  H268  1  0.013130  0.161342  0.427429  1
  H  H269  1  0.189570  0.154443  0.442592  1
  H  H270  1  0.179797  0.494676  0.427429  1
  H  H271  1  0.503583  1.001613  0.412294  1
  H  H272  1  0.513284  0.661360  0.427451  1
  H  H273  1  0.689682  0.654443  0.442606  1
  H  H274  1  0.836916  0.668280  0.412294  1
  H  H275  1  0.523015  0.321110  0.442606  1
  H  H276  1  0.670249  0.334947  0.412294  1
  H  H277  1  0.679950  0.994693  0.427451  1
  H  H278  1  0.856349  0.987776  0.442606  1
  H  H279  1  1.003583  1.001613  0.412294  1
  H  H280  1  0.013284  0.661360  0.427451  1
  H  H281  1  0.189682  0.654443  0.442606  1
  H  H282  1  0.336916  0.668280  0.412294  1
  H  H283  1  0.846617  0.328027  0.427451  1
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  H  H630  1  0.325881  0.391005  0.654605  1
  H  H631  1  0.648772  0.898230  0.639307  1
  H  H632  1  0.658656  0.557185  0.654143  1
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  H  H667  1  0.570261  0.955774  0.701223  1
  H  H668  1  0.549180  0.634489  0.670147  1
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  H  H720  1  0.519256  0.200413  0.700798  1
