# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44960001
_cell_length_b   23.80582490
_cell_length_c   49.61845231
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.99302263
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H432
_cell_volume   8751.21171665
_cell_formula_units_Z   216
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  0.390099  0.830408  0.260891  1
  H  H2  1  0.723433  0.497075  0.260891  1
  H  H3  1  0.579901  0.812967  0.300231  1
  H  H4  1  0.056766  0.830408  0.260891  1
  H  H5  1  0.390099  0.497075  0.260891  1
  H  H6  1  0.723433  0.163742  0.260891  1
  H  H7  1  0.056766  0.163742  0.260891  1
  H  H8  1  0.913235  0.479633  0.300231  1
  H  H9  1  0.246568  0.146300  0.300231  1
  H  H10  1  0.723433  0.830408  0.260891  1
  H  H11  1  0.056766  0.497075  0.260891  1
  H  H12  1  0.806228  0.742507  0.276433  1
  H  H13  1  0.139562  0.742507  0.276433  1
  H  H14  1  0.472895  0.409174  0.276433  1
  H  H15  1  0.806228  0.075840  0.276433  1
  H  H16  1  0.390099  0.163742  0.260891  1
  H  H17  1  0.139562  0.409174  0.276433  1
  H  H18  1  0.472895  0.075840  0.276433  1
  H  H19  1  0.338844  0.661376  0.270575  1
  H  H20  1  0.672177  0.328043  0.270575  1
  H  H21  1  0.672177  0.661376  0.270575  1
  H  H22  1  1.005511  0.661376  0.270575  1
  H  H23  1  0.338844  0.328043  0.270575  1
  H  H24  1  0.672177  -0.005290  0.270575  1
  H  H25  1  1.005511  -0.005290  0.270575  1
  H  H26  1  1.005511  0.328043  0.270575  1
  H  H27  1  0.338844  -0.005290  0.270575  1
  H  H28  1  0.201141  0.911708  0.268484  1
  H  H29  1  0.534475  0.578375  0.268484  1
  H  H30  1  0.534475  0.911708  0.268484  1
  H  H31  1  0.867808  0.911708  0.268484  1
  H  H32  1  0.201141  0.578375  0.268484  1
  H  H33  1  0.534475  0.245042  0.268484  1
  H  H34  1  0.867808  0.245042  0.268484  1
  H  H35  1  0.867808  0.578375  0.268484  1
  H  H36  1  0.201141  0.245042  0.268484  1
  H  H37  1  0.246568  0.812967  0.300231  1
  H  H38  1  0.579901  0.479633  0.300231  1
  H  H39  1  0.429689  0.789283  0.337488  1
  H  H40  1  0.913235  0.812967  0.300231  1
  H  H41  1  0.246568  0.479633  0.300231  1
  H  H42  1  0.579901  0.146300  0.300231  1
  H  H43  1  0.913235  0.146300  0.300231  1
  H  H44  1  0.763023  0.455949  0.337488  1
  H  H45  1  0.096356  0.122616  0.337488  1
  H  H46  1  0.472895  0.742507  0.276433  1
  H  H47  1  0.806228  0.409174  0.276433  1
  H  H48  1  0.647018  0.720215  0.314290  1
  H  H49  1  0.980351  0.720215  0.314290  1
  H  H50  1  0.313684  0.386881  0.314290  1
  H  H51  1  0.647018  0.053548  0.314290  1
  H  H52  1  0.139562  0.075840  0.276433  1
  H  H53  1  0.980351  0.386881  0.314290  1
  H  H54  1  0.313684  0.053548  0.314290  1
  H  H55  1  0.181186  0.640292  0.308661  1
  H  H56  1  0.514520  0.306959  0.308661  1
  H  H57  1  0.514520  0.640292  0.308661  1
  H  H58  1  0.847853  0.640292  0.308661  1
  H  H59  1  0.181186  0.306959  0.308661  1
  H  H60  1  0.514520  0.973625  0.308661  1
  H  H61  1  0.847853  0.973625  0.308661  1
  H  H62  1  0.847853  0.306959  0.308661  1
  H  H63  1  0.181186  0.973625  0.308661  1
  H  H64  1  0.047996  0.892134  0.306310  1
  H  H65  1  0.381329  0.558801  0.306310  1
  H  H66  1  0.381329  0.892134  0.306310  1
  H  H67  1  0.714662  0.892134  0.306310  1
  H  H68  1  0.047996  0.558801  0.306310  1
  H  H69  1  0.381329  0.225468  0.306310  1
  H  H70  1  0.714662  0.225468  0.306310  1
  H  H71  1  0.714662  0.558801  0.306310  1
  H  H72  1  0.047996  0.225468  0.306310  1
  H  H73  1  0.096356  0.789283  0.337488  1
  H  H74  1  0.429689  0.455949  0.337488  1
  H  H75  1  0.276801  0.766402  0.374856  1
  H  H76  1  0.763023  0.789283  0.337488  1
  H  H77  1  0.096356  0.455949  0.337488  1
  H  H78  1  0.429689  0.122616  0.337488  1
  H  H79  1  0.763023  0.122616  0.337488  1
  H  H80  1  0.610134  0.433068  0.374856  1
  H  H81  1  0.943467  0.099735  0.374856  1
  H  H82  1  0.313684  0.720215  0.314290  1
  H  H83  1  0.647018  0.386881  0.314290  1
  H  H84  1  0.491234  0.697082  0.351863  1
  H  H85  1  0.824567  0.697082  0.351863  1
  H  H86  1  0.157901  0.363749  0.351863  1
  H  H87  1  0.491234  0.030415  0.351863  1
  H  H88  1  0.980351  0.053548  0.314290  1
  H  H89  1  0.824567  0.363749  0.351863  1
  H  H90  1  0.157901  0.030415  0.351863  1
  H  H91  1  1.025925  0.617256  0.346167  1
  H  H92  1  0.359259  0.283923  0.346167  1
  H  H93  1  0.359259  0.617256  0.346167  1
  H  H94  1  0.692592  0.617256  0.346167  1
  H  H95  1  1.025925  0.283923  0.346167  1
  H  H96  1  0.359259  0.950590  0.346167  1
  H  H97  1  0.692592  0.950590  0.346167  1
  H  H98  1  0.692592  0.283923  0.346167  1
  H  H99  1  1.025925  0.950590  0.346167  1
  H  H100  1  0.895251  0.868923  0.343593  1
  H  H101  1  0.228585  0.535590  0.343593  1
  H  H102  1  0.228585  0.868923  0.343593  1
  H  H103  1  0.561918  0.868923  0.343593  1
  H  H104  1  0.895251  0.535590  0.343593  1
  H  H105  1  0.228585  0.202256  0.343593  1
  H  H106  1  0.561918  0.202256  0.343593  1
  H  H107  1  0.561918  0.535590  0.343593  1
  H  H108  1  0.895251  0.202256  0.343593  1
  H  H109  1  0.943467  0.766402  0.374856  1
  H  H110  1  0.276801  0.433068  0.374856  1
  H  H111  1  0.122908  0.743815  0.412379  1
  H  H112  1  0.610134  0.766402  0.374856  1
  H  H113  1  0.943467  0.433068  0.374856  1
  H  H114  1  0.276801  0.099735  0.374856  1
  H  H115  1  0.610134  0.099735  0.374856  1
  H  H116  1  0.456242  0.410482  0.412379  1
  H  H117  1  0.789575  0.077148  0.412379  1
  H  H118  1  0.157901  0.697082  0.351863  1
  H  H119  1  0.491234  0.363749  0.351863  1
  H  H120  1  0.336390  0.674347  0.389538  1
  H  H121  1  0.669723  0.674347  0.389538  1
  H  H122  1  1.003057  0.341014  0.389538  1
  H  H123  1  0.336390  0.007681  0.389538  1
  H  H124  1  0.824567  0.030415  0.351863  1
  H  H125  1  0.669723  0.341014  0.389538  1
  H  H126  1  1.003057  0.007681  0.389538  1
  H  H127  1  0.871395  0.594516  0.383771  1
  H  H128  1  0.204729  0.261183  0.383771  1
  H  H129  1  0.204729  0.594516  0.383771  1
  H  H130  1  0.538062  0.594516  0.383771  1
  H  H131  1  0.871395  0.261183  0.383771  1
  H  H132  1  0.204729  0.927849  0.383771  1
  H  H133  1  0.538062  0.927849  0.383771  1
  H  H134  1  0.538062  0.261183  0.383771  1
  H  H135  1  0.871395  0.927849  0.383771  1
  H  H136  1  0.741714  0.846141  0.381026  1
  H  H137  1  0.075048  0.512808  0.381026  1
  H  H138  1  0.075048  0.846141  0.381026  1
  H  H139  1  0.408381  0.846141  0.381026  1
  H  H140  1  0.741714  0.512808  0.381026  1
  H  H141  1  0.075048  0.179474  0.381026  1
  H  H142  1  0.408381  0.179474  0.381026  1
  H  H143  1  0.408381  0.512808  0.381026  1
  H  H144  1  0.741714  0.179474  0.381026  1
  H  H145  1  0.789575  0.743815  0.412379  1
  H  H146  1  0.122908  0.410482  0.412379  1
  H  H147  1  0.968750  0.721255  0.449948  1
  H  H148  1  0.456242  0.743815  0.412379  1
  H  H149  1  0.789575  0.410482  0.412379  1
  H  H150  1  0.122908  0.077148  0.412379  1
  H  H151  1  0.456242  0.077148  0.412379  1
  H  H152  1  0.302083  0.387922  0.449948  1
  H  H153  1  0.635417  0.054588  0.449948  1
  H  H154  1  1.003057  0.674347  0.389538  1
  H  H155  1  0.336390  0.341014  0.389538  1
  H  H156  1  0.181876  0.651726  0.427192  1
  H  H157  1  0.515210  0.651726  0.427192  1
  H  H158  1  0.848543  0.318393  0.427192  1
  H  H159  1  0.181876  0.985060  0.427192  1
  H  H160  1  0.669723  0.007681  0.389538  1
  H  H161  1  0.515210  0.318393  0.427192  1
  H  H162  1  0.848543  0.985060  0.427192  1
  H  H163  1  0.717050  0.571895  0.421338  1
  H  H164  1  0.050383  0.238561  0.421338  1
  H  H165  1  0.050383  0.571895  0.421338  1
  H  H166  1  0.383716  0.571895  0.421338  1
  H  H167  1  0.717050  0.238561  0.421338  1
  H  H168  1  0.050383  0.905228  0.421338  1
  H  H169  1  0.383716  0.905228  0.421338  1
  H  H170  1  0.383716  0.238561  0.421338  1
  H  H171  1  0.717050  0.905228  0.421338  1
  H  H172  1  0.587706  0.823556  0.418497  1
  H  H173  1  0.921039  0.490223  0.418497  1
  H  H174  1  0.921039  0.823556  0.418497  1
  H  H175  1  0.254373  0.823556  0.418497  1
  H  H176  1  0.587706  0.490223  0.418497  1
  H  H177  1  0.921039  0.156889  0.418497  1
  H  H178  1  0.254373  0.156889  0.418497  1
  H  H179  1  0.254373  0.490223  0.418497  1
  H  H180  1  0.587706  0.156889  0.418497  1
  H  H181  1  0.635417  0.721255  0.449948  1
  H  H182  1  0.968750  0.387922  0.449948  1
  H  H183  1  0.814456  0.698711  0.487552  1
  H  H184  1  0.302083  0.721255  0.449948  1
  H  H185  1  0.635417  0.387922  0.449948  1
  H  H186  1  0.968750  0.054588  0.449948  1
  H  H187  1  0.302083  0.054588  0.449948  1
  H  H188  1  0.147789  0.365378  0.487552  1
  H  H189  1  0.481123  0.032045  0.487552  1
  H  H190  1  0.848543  0.651726  0.427192  1
  H  H191  1  0.181876  0.318393  0.427192  1
  H  H192  1  1.027497  0.629161  0.464821  1
  H  H193  1  0.360830  0.629161  0.464821  1
  H  H194  1  0.694163  0.295827  0.464821  1
  H  H195  1  1.027497  0.962494  0.464821  1
  H  H196  1  0.515210  0.985060  0.427192  1
  H  H197  1  0.360830  0.295827  0.464821  1
  H  H198  1  0.694163  0.962494  0.464821  1
  H  H199  1  0.562736  0.549354  0.458873  1
  H  H200  1  0.896069  0.216021  0.458873  1
  H  H201  1  0.896069  0.549354  0.458873  1
  H  H202  1  0.229402  0.549354  0.458873  1
  H  H203  1  0.562736  0.216021  0.458873  1
  H  H204  1  0.896069  0.882687  0.458873  1
  H  H205  1  0.229402  0.882687  0.458873  1
  H  H206  1  0.229402  0.216021  0.458873  1
  H  H207  1  0.562736  0.882687  0.458873  1
  H  H208  1  0.433502  0.801030  0.455989  1
  H  H209  1  0.766836  0.467697  0.455989  1
  H  H210  1  0.766836  0.801030  0.455989  1
  H  H211  1  0.100169  0.801030  0.455989  1
  H  H212  1  0.433502  0.467697  0.455989  1
  H  H213  1  0.766836  0.134363  0.455989  1
  H  H214  1  0.100169  0.134363  0.455989  1
  H  H215  1  0.100169  0.467697  0.455989  1
  H  H216  1  0.433502  0.134363  0.455989  1
  H  H217  1  0.481123  0.698711  0.487552  1
  H  H218  1  0.814456  0.365378  0.487552  1
  H  H219  1  0.660076  0.676146  0.525181  1
  H  H220  1  0.147789  0.698711  0.487552  1
  H  H221  1  0.481123  0.365378  0.487552  1
  H  H222  1  0.814456  0.032045  0.487552  1
  H  H223  1  0.147789  0.032045  0.487552  1
  H  H224  1  0.993410  0.342812  0.525181  1
  H  H225  1  0.326743  0.009479  0.525181  1
  H  H226  1  0.694163  0.629161  0.464821  1
  H  H227  1  1.027497  0.295827  0.464821  1
  H  H228  1  0.873203  0.606617  0.502425  1
  H  H229  1  0.206536  0.606617  0.502425  1
  H  H230  1  0.539869  0.273284  0.502425  1
  H  H231  1  0.873203  0.939950  0.502425  1
  H  H232  1  0.360830  0.962494  0.464821  1
  H  H233  1  0.206536  0.273284  0.502425  1
  H  H234  1  0.539869  0.939950  0.502425  1
  H  H235  1  0.408450  0.526842  0.496384  1
  H  H236  1  0.741784  0.193509  0.496384  1
  H  H237  1  0.741784  0.526842  0.496384  1
  H  H238  1  0.075117  0.526842  0.496384  1
  H  H239  1  0.408450  0.193509  0.496384  1
  H  H240  1  0.741784  0.860176  0.496384  1
  H  H241  1  0.075117  0.860176  0.496384  1
  H  H242  1  0.075117  0.193509  0.496384  1
  H  H243  1  0.408450  0.860176  0.496384  1
  H  H244  1  0.279217  0.778518  0.493500  1
  H  H245  1  0.612551  0.445185  0.493500  1
  H  H246  1  0.612551  0.778518  0.493500  1
  H  H247  1  0.945884  0.778518  0.493500  1
  H  H248  1  0.279217  0.445185  0.493500  1
  H  H249  1  0.612551  0.111852  0.493500  1
  H  H250  1  0.945884  0.111852  0.493500  1
  H  H251  1  0.945884  0.445185  0.493500  1
  H  H252  1  0.279217  0.111852  0.493500  1
  H  H253  1  0.326743  0.676146  0.525181  1
  H  H254  1  0.660076  0.342812  0.525181  1
  H  H255  1  0.505563  0.653525  0.562835  1
  H  H256  1  0.993410  0.676146  0.525181  1
  H  H257  1  0.326743  0.342812  0.525181  1
  H  H258  1  0.660076  0.009479  0.525181  1
  H  H259  1  0.993410  0.009479  0.525181  1
  H  H260  1  0.838896  0.320191  0.562835  1
  H  H261  1  0.172230  0.986858  0.562835  1
  H  H262  1  0.539869  0.606617  0.502425  1
  H  H263  1  0.873203  0.273284  0.502425  1
  H  H264  1  0.719045  0.584057  0.539994  1
  H  H265  1  0.052378  0.584057  0.539994  1
  H  H266  1  0.385711  0.250724  0.539994  1
  H  H267  1  0.719045  0.917391  0.539994  1
  H  H268  1  0.206536  0.939950  0.502425  1
  H  H269  1  0.052378  0.250724  0.539994  1
  H  H270  1  0.385711  0.917391  0.539994  1
  H  H271  1  0.254247  0.504316  0.533876  1
  H  H272  1  0.587580  0.170983  0.533876  1
  H  H273  1  0.587580  0.504316  0.533876  1
  H  H274  1  0.920914  0.504316  0.533876  1
  H  H275  1  0.254247  0.170983  0.533876  1
  H  H276  1  0.587580  0.837650  0.533876  1
  H  H277  1  0.920914  0.837650  0.533876  1
  H  H278  1  0.920914  0.170983  0.533876  1
  H  H279  1  0.254247  0.837650  0.533876  1
  H  H280  1  0.124903  0.755977  0.531035  1
  H  H281  1  0.458237  0.422644  0.531035  1
  H  H282  1  0.458237  0.755977  0.531035  1
  H  H283  1  0.791570  0.755977  0.531035  1
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  H  H432  1  0.503109  -0.000171  0.681799  1
