# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.94599266
_cell_length_b   23.40860772
_cell_length_c   47.94447189
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.96889992
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H540
_cell_volume   11024.1415764
_cell_formula_units_Z   270
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  0.046070  0.808011  0.286685  1
  H  H2  1  0.712737  0.641344  0.286685  1
  H  H3  1  0.822350  0.818249  0.268260  1
  H  H4  1  0.046070  0.308011  0.286685  1
  H  H5  1  0.155684  0.484916  0.268260  1
  H  H6  1  0.104260  0.645444  0.276909  1
  H  H7  1  0.379404  0.474677  0.286685  1
  H  H8  1  0.489017  0.651583  0.268260  1
  H  H9  1  0.437593  0.812111  0.276909  1
  H  H10  1  0.712737  0.141344  0.286685  1
  H  H11  1  0.822350  0.318249  0.268260  1
  H  H12  1  0.770926  0.478777  0.276909  1
  H  H13  1  0.155684  0.984916  0.268260  1
  H  H14  1  0.104260  0.145444  0.276909  1
  H  H15  1  0.379404  0.974677  0.286685  1
  H  H16  1  0.489017  0.151583  0.268260  1
  H  H17  1  0.437593  0.312111  0.276909  1
  H  H18  1  0.770926  0.978777  0.276909  1
  H  H19  1  0.030948  0.901555  0.267152  1
  H  H20  1  0.697615  0.734889  0.267152  1
  H  H21  1  0.639982  0.897614  0.276411  1
  H  H22  1  0.030948  0.401555  0.267152  1
  H  H23  1  0.973315  0.564280  0.276411  1
  H  H24  1  0.924372  0.725452  0.286259  1
  H  H25  1  0.364282  0.568222  0.267152  1
  H  H26  1  0.306649  0.730947  0.276411  1
  H  H27  1  0.257705  0.892118  0.286259  1
  H  H28  1  0.697615  0.234889  0.267152  1
  H  H29  1  0.639982  0.397614  0.276411  1
  H  H30  1  0.591039  0.558785  0.286259  1
  H  H31  1  0.973315  0.064280  0.276411  1
  H  H32  1  0.924372  0.225452  0.286259  1
  H  H33  1  0.364282  0.068222  0.267152  1
  H  H34  1  0.306649  0.230947  0.276411  1
  H  H35  1  0.257705  0.392118  0.286259  1
  H  H36  1  0.591039  0.058785  0.286259  1
  H  H37  1  0.857696  0.801314  0.317563  1
  H  H38  1  0.524363  0.634647  0.317563  1
  H  H39  1  0.644189  0.808312  0.299274  1
  H  H40  1  0.857696  0.301314  0.317563  1
  H  H41  1  0.977522  0.474979  0.299274  1
  H  H42  1  0.918987  0.638285  0.308290  1
  H  H43  1  0.191030  0.467981  0.317563  1
  H  H44  1  0.310855  0.641646  0.299274  1
  H  H45  1  0.252320  0.804951  0.308290  1
  H  H46  1  0.524363  0.134647  0.317563  1
  H  H47  1  0.644189  0.308312  0.299274  1
  H  H48  1  0.585654  0.471618  0.308290  1
  H  H49  1  0.977522  0.974979  0.299274  1
  H  H50  1  0.918987  0.138285  0.308290  1
  H  H51  1  0.191030  0.967981  0.317563  1
  H  H52  1  0.310855  0.141646  0.299274  1
  H  H53  1  0.252320  0.304951  0.308290  1
  H  H54  1  0.585654  0.971618  0.308290  1
  H  H55  1  0.862108  0.890812  0.298764  1
  H  H56  1  0.528775  0.724146  0.298764  1
  H  H57  1  0.469782  0.887832  0.308375  1
  H  H58  1  0.862108  0.390812  0.298764  1
  H  H59  1  0.803115  0.554499  0.308375  1
  H  H60  1  0.744667  0.718808  0.317347  1
  H  H61  1  0.195441  0.557479  0.298764  1
  H  H62  1  0.136448  0.721165  0.308375  1
  H  H63  1  0.078001  0.885475  0.317347  1
  H  H64  1  0.528775  0.224146  0.298764  1
  H  H65  1  0.469782  0.387832  0.308375  1
  H  H66  1  0.411334  0.552142  0.317347  1
  H  H67  1  0.803115  0.054499  0.308375  1
  H  H68  1  0.744667  0.218808  0.317347  1
  H  H69  1  0.195441  0.057479  0.298764  1
  H  H70  1  0.136448  0.221165  0.308375  1
  H  H71  1  0.078001  0.385475  0.317347  1
  H  H72  1  0.411334  0.052142  0.317347  1
  H  H73  1  0.670330  0.794693  0.347388  1
  H  H74  1  0.336997  0.628026  0.347388  1
  H  H75  1  0.459963  0.799783  0.328171  1
  H  H76  1  0.670330  0.294693  0.347388  1
  H  H77  1  0.793296  0.466450  0.328171  1
  H  H78  1  0.731963  0.630965  0.337363  1
  H  H79  1  1.003663  0.461359  0.347388  1
  H  H80  1  0.126630  0.633117  0.328171  1
  H  H81  1  0.065296  0.797632  0.337363  1
  H  H82  1  0.336997  0.128026  0.347388  1
  H  H83  1  0.459963  0.299783  0.328171  1
  H  H84  1  0.398629  0.464298  0.337363  1
  H  H85  1  0.793296  0.966450  0.328171  1
  H  H86  1  0.731963  0.130965  0.337363  1
  H  H87  1  1.003663  0.961359  0.347388  1
  H  H88  1  0.126630  0.133117  0.328171  1
  H  H89  1  0.065296  0.297632  0.337363  1
  H  H90  1  0.398629  0.964298  0.337363  1
  H  H91  1  0.683632  0.883241  0.327839  1
  H  H92  1  0.350298  0.716574  0.327839  1
  H  H93  1  0.289072  0.880763  0.337476  1
  H  H94  1  0.683632  0.383241  0.327839  1
  H  H95  1  0.622405  0.547430  0.337476  1
  H  H96  1  0.562319  0.711338  0.347380  1
  H  H97  1  0.016965  0.549908  0.327839  1
  H  H98  1  0.955738  0.714096  0.337476  1
  H  H99  1  0.895652  0.878004  0.347380  1
  H  H100  1  0.350298  0.216574  0.327839  1
  H  H101  1  0.289072  0.380763  0.337476  1
  H  H102  1  0.228986  0.544671  0.347380  1
  H  H103  1  0.622405  0.047430  0.337476  1
  H  H104  1  0.562319  0.211338  0.347380  1
  H  H105  1  0.016965  0.049908  0.327839  1
  H  H106  1  0.955738  0.214096  0.337476  1
  H  H107  1  0.895652  0.378004  0.347380  1
  H  H108  1  0.228986  0.044671  0.347380  1
  H  H109  1  0.483527  0.787563  0.376621  1
  H  H110  1  0.150194  0.620896  0.376621  1
  H  H111  1  0.273987  0.792501  0.357177  1
  H  H112  1  0.483527  0.287563  0.376621  1
  H  H113  1  0.607320  0.459168  0.357177  1
  H  H114  1  0.545752  0.623359  0.366704  1
  H  H115  1  0.816861  0.454230  0.376621  1
  H  H116  1  0.940653  0.625834  0.357177  1
  H  H117  1  0.879085  0.790026  0.366704  1
  H  H118  1  0.150194  0.120896  0.376621  1
  H  H119  1  0.273987  0.292501  0.357177  1
  H  H120  1  0.212418  0.456693  0.366704  1
  H  H121  1  0.607320  0.959168  0.357177  1
  H  H122  1  0.545752  0.123359  0.366704  1
  H  H123  1  0.816861  0.954230  0.376621  1
  H  H124  1  0.940653  0.125834  0.357177  1
  H  H125  1  0.879085  0.290026  0.366704  1
  H  H126  1  0.212418  0.956693  0.366704  1
  H  H127  1  0.500513  0.875827  0.357293  1
  H  H128  1  0.167179  0.709160  0.357293  1
  H  H129  1  0.105835  0.873350  0.366912  1
  H  H130  1  0.500513  0.375827  0.357293  1
  H  H131  1  0.439169  0.540017  0.366912  1
  H  H132  1  0.377562  0.704215  0.376829  1
  H  H133  1  0.833846  0.542494  0.357293  1
  H  H134  1  0.772502  0.706684  0.366912  1
  H  H135  1  0.710896  0.870882  0.376829  1
  H  H136  1  0.167179  0.209160  0.357293  1
  H  H137  1  0.105835  0.373350  0.366912  1
  H  H138  1  0.044229  0.537549  0.376829  1
  H  H139  1  0.439169  0.040017  0.366912  1
  H  H140  1  0.377562  0.204215  0.376829  1
  H  H141  1  0.833846  0.042494  0.357293  1
  H  H142  1  0.772502  0.206684  0.366912  1
  H  H143  1  0.710896  0.370882  0.376829  1
  H  H144  1  0.044229  0.037549  0.376829  1
  H  H145  1  0.297331  0.780331  0.405777  1
  H  H146  1  0.963997  0.613665  0.405777  1
  H  H147  1  0.087901  0.785313  0.386235  1
  H  H148  1  0.297331  0.280331  0.405777  1
  H  H149  1  0.421235  0.451980  0.386235  1
  H  H150  1  0.359464  0.616090  0.395982  1
  H  H151  1  0.630664  0.446998  0.405777  1
  H  H152  1  0.754568  0.618646  0.386235  1
  H  H153  1  0.692798  0.782757  0.395982  1
  H  H154  1  0.963997  0.113665  0.405777  1
  H  H155  1  0.087901  0.285313  0.386235  1
  H  H156  1  0.026131  0.449423  0.395982  1
  H  H157  1  0.421235  0.951980  0.386235  1
  H  H158  1  0.359464  0.116090  0.395982  1
  H  H159  1  0.630664  0.946998  0.405777  1
  H  H160  1  0.754568  0.118646  0.386235  1
  H  H161  1  0.692798  0.282757  0.395982  1
  H  H162  1  0.026131  0.949423  0.395982  1
  H  H163  1  0.315682  0.868490  0.386600  1
  H  H164  1  0.982348  0.701823  0.386600  1
  H  H165  1  0.920616  0.866031  0.396410  1
  H  H166  1  0.315682  0.368490  0.386600  1
  H  H167  1  0.253950  0.532697  0.396410  1
  H  H168  1  0.192015  0.696956  0.406216  1
  H  H169  1  0.649015  0.535156  0.386600  1
  H  H170  1  0.587283  0.699364  0.396410  1
  H  H171  1  0.525349  0.863622  0.406216  1
  H  H172  1  0.982348  0.201823  0.386600  1
  H  H173  1  0.920616  0.366031  0.396410  1
  H  H174  1  0.858682  0.530289  0.406216  1
  H  H175  1  0.253950  0.032697  0.396410  1
  H  H176  1  0.192015  0.196956  0.406216  1
  H  H177  1  0.649015  0.035156  0.386600  1
  H  H178  1  0.587283  0.199364  0.396410  1
  H  H179  1  0.525349  0.363622  0.406216  1
  H  H180  1  0.858682  0.030289  0.406216  1
  H  H181  1  0.111541  0.773073  0.435039  1
  H  H182  1  0.778208  0.606407  0.435039  1
  H  H183  1  0.902116  0.777928  0.415494  1
  H  H184  1  0.111541  0.273073  0.435039  1
  H  H185  1  0.235449  0.444595  0.415494  1
  H  H186  1  0.173518  0.608819  0.425299  1
  H  H187  1  0.444874  0.439740  0.435039  1
  H  H188  1  0.568783  0.611261  0.415494  1
  H  H189  1  0.506852  0.775486  0.425299  1
  H  H190  1  0.778208  0.106407  0.435039  1
  H  H191  1  0.902116  0.277928  0.415494  1
  H  H192  1  0.840185  0.442153  0.425299  1
  H  H193  1  0.235449  0.944595  0.415494  1
  H  H194  1  0.173518  0.108819  0.425299  1
  H  H195  1  0.444874  0.939740  0.435039  1
  H  H196  1  0.568783  0.111261  0.415494  1
  H  H197  1  0.506852  0.275486  0.425299  1
  H  H198  1  0.840185  0.942153  0.425299  1
  H  H199  1  0.130163  0.861179  0.415958  1
  H  H200  1  0.796830  0.694513  0.415958  1
  H  H201  1  0.734917  0.858717  0.425768  1
  H  H202  1  0.130163  0.361179  0.415958  1
  H  H203  1  0.068250  0.525384  0.425768  1
  H  H204  1  0.006311  0.689623  0.435542  1
  H  H205  1  0.463497  0.527846  0.415958  1
  H  H206  1  0.401583  0.692050  0.425768  1
  H  H207  1  0.339644  0.856290  0.435542  1
  H  H208  1  0.796830  0.194513  0.415958  1
  H  H209  1  0.734917  0.358717  0.425768  1
  H  H210  1  0.672977  0.522957  0.435542  1
  H  H211  1  0.068250  0.025384  0.425768  1
  H  H212  1  0.006311  0.189623  0.435542  1
  H  H213  1  0.463497  0.027846  0.415958  1
  H  H214  1  0.401583  0.192050  0.425768  1
  H  H215  1  0.339644  0.356290  0.435542  1
  H  H216  1  0.672977  0.022957  0.435542  1
  H  H217  1  0.925824  0.765750  0.464350  1
  H  H218  1  0.592490  0.599084  0.464350  1
  H  H219  1  0.716346  0.770618  0.444805  1
  H  H220  1  0.925824  0.265750  0.464350  1
  H  H221  1  0.049679  0.437285  0.444805  1
  H  H222  1  0.987727  0.601516  0.454590  1
  H  H223  1  0.259157  0.432417  0.464350  1
  H  H224  1  0.383012  0.603952  0.444805  1
  H  H225  1  0.321060  0.768182  0.454590  1
  H  H226  1  0.592490  0.099084  0.464350  1
  H  H227  1  0.716346  0.270618  0.444805  1
  H  H228  1  0.654393  0.434849  0.454590  1
  H  H229  1  0.049679  0.937285  0.444805  1
  H  H230  1  0.987727  0.101516  0.454590  1
  H  H231  1  0.259157  0.932417  0.464350  1
  H  H232  1  0.383012  0.103952  0.444805  1
  H  H233  1  0.321060  0.268182  0.454590  1
  H  H234  1  0.654393  0.934849  0.454590  1
  H  H235  1  0.944418  0.853852  0.445324  1
  H  H236  1  0.611085  0.687185  0.445324  1
  H  H237  1  0.549148  0.851419  0.455112  1
  H  H238  1  0.944418  0.353852  0.445324  1
  H  H239  1  0.882481  0.518086  0.455112  1
  H  H240  1  0.820571  0.682313  0.464876  1
  H  H241  1  0.277751  0.520518  0.445324  1
  H  H242  1  0.215815  0.684752  0.455112  1
  H  H243  1  0.153904  0.848980  0.464876  1
  H  H244  1  0.611085  0.187185  0.445324  1
  H  H245  1  0.549148  0.351419  0.455112  1
  H  H246  1  0.487237  0.515647  0.464876  1
  H  H247  1  0.882481  0.018086  0.455112  1
  H  H248  1  0.820571  0.182313  0.464876  1
  H  H249  1  0.277751  0.020518  0.445324  1
  H  H250  1  0.215815  0.184752  0.455112  1
  H  H251  1  0.153904  0.348980  0.464876  1
  H  H252  1  0.487237  0.015647  0.464876  1
  H  H253  1  0.740064  0.758442  0.493679  1
  H  H254  1  0.406731  0.591776  0.493679  1
  H  H255  1  0.530572  0.763314  0.474135  1
  H  H256  1  0.740064  0.258442  0.493679  1
  H  H257  1  0.863906  0.429980  0.474135  1
  H  H258  1  0.801979  0.594214  0.483906  1
  H  H259  1  0.073398  0.425109  0.493679  1
  H  H260  1  0.197239  0.596647  0.474135  1
  H  H261  1  0.135312  0.760881  0.483906  1
  H  H262  1  0.406731  0.091776  0.493679  1
  H  H263  1  0.530572  0.263314  0.474135  1
  H  H264  1  0.468646  0.427548  0.483906  1
  H  H265  1  0.863906  0.929980  0.474135  1
  H  H266  1  0.801979  0.094214  0.483906  1
  H  H267  1  0.073398  0.925109  0.493679  1
  H  H268  1  0.197239  0.096647  0.474135  1
  H  H269  1  0.135312  0.260881  0.483906  1
  H  H270  1  0.468646  0.927548  0.483906  1
  H  H271  1  0.758646  0.846539  0.474662  1
  H  H272  1  0.425312  0.679872  0.474662  1
  H  H273  1  0.363398  0.844100  0.484436  1
  H  H274  1  0.758646  0.346539  0.474662  1
  H  H275  1  0.696731  0.510766  0.484436  1
  H  H276  1  0.634805  0.675001  0.494206  1
  H  H277  1  0.091979  0.513205  0.474662  1
  H  H278  1  0.030065  0.677433  0.484436  1
  H  H279  1  0.968138  0.841667  0.494206  1
  H  H280  1  0.425312  0.179872  0.474662  1
  H  H281  1  0.363398  0.344100  0.484436  1
  H  H282  1  0.301471  0.508334  0.494206  1
  H  H283  1  0.696731  0.010766  0.484436  1
  H  H284  1  0.634805  0.175001  0.494206  1
  H  H285  1  0.091979  0.013205  0.474662  1
  H  H286  1  0.030065  0.177433  0.484436  1
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  H  H397  1  0.998198  0.729154  0.611048  1
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  H  H469  1  0.636602  0.714169  0.669577  1
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  H  H509  1  0.574338  0.379529  0.682082  1
  H  H510  1  0.525395  0.540701  0.691930  1
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  H  H512  1  0.907672  0.546196  0.682082  1
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  H  H518  1  0.525395  0.040701  0.691930  1
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  H  H520  1  0.907672  0.046196  0.682082  1
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  H  H523  1  0.452640  0.796970  0.681656  1
  H  H524  1  0.119307  0.630303  0.681656  1
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  H  H526  1  0.452640  0.296970  0.681656  1
  H  H527  1  0.394451  0.459537  0.691432  1
  H  H528  1  0.343027  0.620065  0.700081  1
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  H  H531  1  0.676360  0.786732  0.700081  1
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  H  H539  1  0.676360  0.286732  0.700081  1
  H  H540  1  0.009693  0.953398  0.700081  1
