# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.75802386
_cell_length_b   46.59122016
_cell_length_c   47.57212333
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.66479538
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H1056
_cell_volume   21534.4080727
_cell_formula_units_Z   528
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  0.440361  0.762453  0.273489  1
  H  H2  1  0.440361  0.429119  0.273489  1
  H  H3  1  0.407830  0.596091  0.290965  1
  H  H4  1  0.940361  0.595786  0.273489  1
  H  H5  1  0.907830  0.762758  0.290965  1
  H  H6  1  0.440361  0.095786  0.273489  1
  H  H7  1  0.407830  0.262758  0.290965  1
  H  H8  1  0.940361  0.262453  0.273489  1
  H  H9  1  0.907830  0.429425  0.290965  1
  H  H10  1  0.407830  0.929425  0.290965  1
  H  H11  1  0.940361  0.929119  0.273489  1
  H  H12  1  0.907830  0.096091  0.290965  1
  H  H13  1  0.517722  0.804563  0.296292  1
  H  H14  1  0.517722  0.471229  0.296292  1
  H  H15  1  0.544004  0.635430  0.289087  1
  H  H16  1  1.017722  0.637896  0.296292  1
  H  H17  1  1.044004  0.802096  0.289087  1
  H  H18  1  0.517722  0.137896  0.296292  1
  H  H19  1  0.544004  0.302096  0.289087  1
  H  H20  1  1.017722  0.304563  0.296292  1
  H  H21  1  1.044004  0.468763  0.289087  1
  H  H22  1  0.544004  -0.031237  0.289087  1
  H  H23  1  1.017722  -0.028771  0.296292  1
  H  H24  1  1.044004  0.135430  0.289087  1
  H  H25  1  0.423955  0.848320  0.275315  1
  H  H26  1  0.423955  0.514987  0.275315  1
  H  H27  1  0.374115  0.671704  0.309553  1
  H  H28  1  0.923955  0.681654  0.275315  1
  H  H29  1  0.874115  0.838371  0.309553  1
  H  H30  1  0.423955  0.181654  0.275315  1
  H  H31  1  0.374115  0.338371  0.309553  1
  H  H32  1  0.923955  0.348320  0.275315  1
  H  H33  1  0.874115  0.505038  0.309553  1
  H  H34  1  0.374115  0.005038  0.309553  1
  H  H35  1  0.923955  0.014987  0.275315  1
  H  H36  1  0.874115  0.171704  0.309553  1
  H  H37  1  0.268142  0.888397  0.293282  1
  H  H38  1  0.268142  0.555064  0.293282  1
  H  H39  1  0.287335  0.717727  0.288766  1
  H  H40  1  0.768142  0.721730  0.293282  1
  H  H41  1  0.787335  0.884393  0.288766  1
  H  H42  1  0.268142  0.221730  0.293282  1
  H  H43  1  0.287335  0.384393  0.288766  1
  H  H44  1  0.768142  0.388397  0.293282  1
  H  H45  1  0.787335  0.551060  0.288766  1
  H  H46  1  0.287335  0.051060  0.288766  1
  H  H47  1  0.768142  0.055064  0.293282  1
  H  H48  1  0.787335  0.217727  0.288766  1
  H  H49  1  0.194080  0.763974  0.269833  1
  H  H50  1  0.194080  0.430641  0.269833  1
  H  H51  1  1.180590  0.600787  0.275701  1
  H  H52  1  0.694080  0.597307  0.269833  1
  H  H53  1  0.680590  0.767454  0.275701  1
  H  H54  1  0.194080  0.097307  0.269833  1
  H  H55  1  1.180590  0.267454  0.275701  1
  H  H56  1  0.694080  0.263974  0.269833  1
  H  H57  1  0.680590  0.434120  0.275701  1
  H  H58  1  1.180590  0.934120  0.275701  1
  H  H59  1  0.694080  0.930641  0.269833  1
  H  H60  1  0.680590  0.100787  0.275701  1
  H  H61  1  0.285094  0.801783  0.294287  1
  H  H62  1  0.285094  0.468450  0.294287  1
  H  H63  1  0.308749  0.642793  0.272313  1
  H  H64  1  0.785094  0.635116  0.294287  1
  H  H65  1  0.808749  0.809459  0.272313  1
  H  H66  1  0.285094  0.135116  0.294287  1
  H  H67  1  0.308749  0.309459  0.272313  1
  H  H68  1  0.785094  0.301783  0.294287  1
  H  H69  1  0.808749  0.476126  0.272313  1
  H  H70  1  0.308749  -0.023874  0.272313  1
  H  H71  1  0.785094  -0.031550  0.294287  1
  H  H72  1  0.808749  0.142793  0.272313  1
  H  H73  1  1.179676  0.844845  0.274487  1
  H  H74  1  1.179676  0.511511  0.274487  1
  H  H75  1  1.147723  0.678664  0.293556  1
  H  H76  1  0.679676  0.678178  0.274487  1
  H  H77  1  0.647723  0.845331  0.293556  1
  H  H78  1  1.179676  0.178178  0.274487  1
  H  H79  1  1.147723  0.345331  0.293556  1
  H  H80  1  0.679676  0.344845  0.274487  1
  H  H81  1  0.647723  0.511997  0.293556  1
  H  H82  1  1.147723  0.011997  0.293556  1
  H  H83  1  0.679676  0.011511  0.274487  1
  H  H84  1  0.647723  0.178664  0.293556  1
  H  H85  1  1.028630  0.883525  0.292875  1
  H  H86  1  1.028630  0.550191  0.292875  1
  H  H87  1  1.051159  0.723870  0.272316  1
  H  H88  1  0.528630  0.716858  0.292875  1
  H  H89  1  0.551159  0.890537  0.272316  1
  H  H90  1  1.028630  0.216858  0.292875  1
  H  H91  1  1.051159  0.390537  0.272316  1
  H  H92  1  0.528630  0.383525  0.292875  1
  H  H93  1  0.551159  0.557204  0.272316  1
  H  H94  1  1.051159  0.057204  0.272316  1
  H  H95  1  0.528630  0.050191  0.292875  1
  H  H96  1  0.551159  0.223870  0.272316  1
  H  H97  1  0.348596  0.755859  0.315845  1
  H  H98  1  0.348596  0.422526  0.315845  1
  H  H99  1  0.306628  0.585520  0.332639  1
  H  H100  1  0.848596  0.589193  0.315845  1
  H  H101  1  0.806628  0.752187  0.332639  1
  H  H102  1  0.348596  0.089193  0.315845  1
  H  H103  1  0.306628  0.252187  0.332639  1
  H  H104  1  0.848596  0.255859  0.315845  1
  H  H105  1  0.806628  0.418853  0.332639  1
  H  H106  1  0.306628  0.918853  0.332639  1
  H  H107  1  0.848596  0.922526  0.315845  1
  H  H108  1  0.806628  0.085520  0.332639  1
  H  H109  1  0.407266  0.796819  0.338930  1
  H  H110  1  0.407266  0.463486  0.338930  1
  H  H111  1  0.448670  0.624668  0.331269  1
  H  H112  1  0.907266  0.630152  0.338930  1
  H  H113  1  0.948670  0.791335  0.331269  1
  H  H114  1  0.407266  0.130152  0.338930  1
  H  H115  1  0.448670  0.291335  0.331269  1
  H  H116  1  0.907266  0.296819  0.338930  1
  H  H117  1  0.948670  0.458001  0.331269  1
  H  H118  1  0.448670  -0.041999  0.331269  1
  H  H119  1  0.907266  -0.036514  0.338930  1
  H  H120  1  0.948670  0.124668  0.331269  1
  H  H121  1  0.333850  0.842757  0.318270  1
  H  H122  1  0.333850  0.509424  0.318270  1
  H  H123  1  0.269377  0.662160  0.351728  1
  H  H124  1  0.833850  0.676090  0.318270  1
  H  H125  1  0.769377  0.828827  0.351728  1
  H  H126  1  0.333850  0.176090  0.318270  1
  H  H127  1  0.269377  0.328827  0.351728  1
  H  H128  1  0.833850  0.342757  0.318270  1
  H  H129  1  0.769377  0.495493  0.351728  1
  H  H130  1  0.269377  -0.004507  0.351728  1
  H  H131  1  0.833850  0.009424  0.318270  1
  H  H132  1  0.769377  0.162160  0.351728  1
  H  H133  1  1.164647  0.880553  0.336003  1
  H  H134  1  1.164647  0.547219  0.336003  1
  H  H135  1  0.196195  0.707668  0.331972  1
  H  H136  1  0.664647  0.713886  0.336003  1
  H  H137  1  0.696195  0.874335  0.331972  1
  H  H138  1  1.164647  0.213886  0.336003  1
  H  H139  1  0.196195  0.374335  0.331972  1
  H  H140  1  0.664647  0.380553  0.336003  1
  H  H141  1  0.696195  0.541002  0.331972  1
  H  H142  1  0.196195  0.041002  0.331972  1
  H  H143  1  0.664647  0.047219  0.336003  1
  H  H144  1  0.696195  0.207668  0.331972  1
  H  H145  1  1.116136  0.753134  0.312442  1
  H  H146  1  1.116136  0.419801  0.312442  1
  H  H147  1  1.083087  0.592160  0.317645  1
  H  H148  1  0.616136  0.586467  0.312442  1
  H  H149  1  0.583087  0.758826  0.317645  1
  H  H150  1  1.116136  0.086467  0.312442  1
  H  H151  1  1.083087  0.258826  0.317645  1
  H  H152  1  0.616136  0.253134  0.312442  1
  H  H153  1  0.583087  0.425493  0.317645  1
  H  H154  1  1.083087  0.925493  0.317645  1
  H  H155  1  0.616136  0.919801  0.312442  1
  H  H156  1  0.583087  0.092160  0.317645  1
  H  H157  1  1.177841  0.792844  0.336176  1
  H  H158  1  1.177841  0.459511  0.336176  1
  H  H159  1  0.231043  0.631486  0.315258  1
  H  H160  1  0.677841  0.626178  0.336176  1
  H  H161  1  0.731043  0.798152  0.315258  1
  H  H162  1  1.177841  0.126178  0.336176  1
  H  H163  1  0.231043  0.298152  0.315258  1
  H  H164  1  0.677841  0.292844  0.336176  1
  H  H165  1  0.731043  0.464819  0.315258  1
  H  H166  1  0.231043  -0.035181  0.315258  1
  H  H167  1  0.677841  -0.040489  0.336176  1
  H  H168  1  0.731043  0.131486  0.315258  1
  H  H169  1  1.102440  0.838466  0.318113  1
  H  H170  1  1.102440  0.505133  0.318113  1
  H  H171  1  1.050535  0.668445  0.335647  1
  H  H172  1  0.602440  0.671800  0.318113  1
  H  H173  1  0.550535  0.835112  0.335647  1
  H  H174  1  1.102440  0.171800  0.318113  1
  H  H175  1  1.050535  0.335112  0.335647  1
  H  H176  1  0.602440  0.338466  0.318113  1
  H  H177  1  0.550535  0.501778  0.335647  1
  H  H178  1  1.050535  0.001778  0.335647  1
  H  H179  1  0.602440  0.005133  0.318113  1
  H  H180  1  0.550535  0.168445  0.335647  1
  H  H181  1  0.928645  0.877270  0.335348  1
  H  H182  1  0.928645  0.543936  0.335348  1
  H  H183  1  0.976084  0.714249  0.315500  1
  H  H184  1  0.428645  0.710603  0.335348  1
  H  H185  1  0.476084  0.880916  0.315500  1
  H  H186  1  0.928645  0.210603  0.335348  1
  H  H187  1  0.976084  0.380916  0.315500  1
  H  H188  1  0.428645  0.377270  0.335348  1
  H  H189  1  0.476084  0.547582  0.315500  1
  H  H190  1  0.976084  0.047582  0.315500  1
  H  H191  1  0.428645  0.043936  0.335348  1
  H  H192  1  0.476084  0.214249  0.315500  1
  H  H193  1  0.248315  0.747563  0.356897  1
  H  H194  1  0.248315  0.414230  0.356897  1
  H  H195  1  0.201823  0.577134  0.374389  1
  H  H196  1  0.748315  0.580897  0.356897  1
  H  H197  1  0.701823  0.743801  0.374389  1
  H  H198  1  0.248315  0.080897  0.356897  1
  H  H199  1  0.201823  0.243801  0.374389  1
  H  H200  1  0.748315  0.247563  0.356897  1
  H  H201  1  0.701823  0.410467  0.374389  1
  H  H202  1  0.201823  0.910467  0.374389  1
  H  H203  1  0.748315  0.914230  0.356897  1
  H  H204  1  0.701823  0.077134  0.374389  1
  H  H205  1  0.297426  0.788205  0.382105  1
  H  H206  1  0.297426  0.454872  0.382105  1
  H  H207  1  0.340470  0.615911  0.372067  1
  H  H208  1  0.797426  0.621539  0.382105  1
  H  H209  1  0.840470  0.782578  0.372067  1
  H  H210  1  0.297426  0.121539  0.382105  1
  H  H211  1  0.340470  0.282578  0.372067  1
  H  H212  1  0.797426  0.288205  0.382105  1
  H  H213  1  0.840470  0.449245  0.372067  1
  H  H214  1  0.340470  -0.050755  0.372067  1
  H  H215  1  0.797426  -0.045128  0.382105  1
  H  H216  1  0.840470  0.115911  0.372067  1
  H  H217  1  0.231352  0.833813  0.359903  1
  H  H218  1  0.231352  0.500480  0.359903  1
  H  H219  1  1.165107  0.653451  0.393144  1
  H  H220  1  0.731352  0.667146  0.359903  1
  H  H221  1  0.665107  0.820117  0.393144  1
  H  H222  1  0.231352  0.167146  0.359903  1
  H  H223  1  1.165107  0.320117  0.393144  1
  H  H224  1  0.731352  0.333813  0.359903  1
  H  H225  1  0.665107  0.486784  0.393144  1
  H  H226  1  1.165107  -0.013216  0.393144  1
  H  H227  1  0.731352  0.000480  0.359903  1
  H  H228  1  0.665107  0.153451  0.393144  1
  H  H229  1  1.060368  0.871739  0.377669  1
  H  H230  1  1.060368  0.538406  0.377669  1
  H  H231  1  1.092215  0.699322  0.373300  1
  H  H232  1  0.560368  0.705072  0.377669  1
  H  H233  1  0.592215  0.865989  0.373300  1
  H  H234  1  1.060368  0.205072  0.377669  1
  H  H235  1  1.092215  0.365989  0.373300  1
  H  H236  1  0.560368  0.371739  0.377669  1
  H  H237  1  0.592215  0.532656  0.373300  1
  H  H238  1  1.092215  0.032656  0.373300  1
  H  H239  1  0.560368  0.038406  0.377669  1
  H  H240  1  0.592215  0.199322  0.373300  1
  H  H241  1  1.016268  0.745026  0.353181  1
  H  H242  1  1.016268  0.411692  0.353181  1
  H  H243  1  0.980320  0.584597  0.359184  1
  H  H244  1  0.516268  0.578359  0.353181  1
  H  H245  1  0.480320  0.751264  0.359184  1
  H  H246  1  1.016268  0.078359  0.353181  1
  H  H247  1  0.980320  0.251264  0.359184  1
  H  H248  1  0.516268  0.245026  0.353181  1
  H  H249  1  0.480320  0.417931  0.359184  1
  H  H250  1  0.980320  0.917931  0.359184  1
  H  H251  1  0.516268  0.911692  0.353181  1
  H  H252  1  0.480320  0.084597  0.359184  1
  H  H253  1  1.069135  0.784720  0.378033  1
  H  H254  1  1.069135  0.451387  0.378033  1
  H  H255  1  1.123365  0.622830  0.355888  1
  H  H256  1  0.569135  0.618054  0.378033  1
  H  H257  1  0.623365  0.789496  0.355888  1
  H  H258  1  1.069135  0.118054  0.378033  1
  H  H259  1  1.123365  0.289496  0.355888  1
  H  H260  1  0.569135  0.284720  0.378033  1
  H  H261  1  0.623365  0.456163  0.355888  1
  H  H262  1  1.123365  -0.043837  0.355888  1
  H  H263  1  0.569135  -0.048613  0.378033  1
  H  H264  1  0.623365  0.122830  0.355888  1
  H  H265  1  0.996455  0.830242  0.357847  1
  H  H266  1  0.996455  0.496909  0.357847  1
  H  H267  1  0.946124  0.660282  0.377557  1
  H  H268  1  0.496455  0.663575  0.357847  1
  H  H269  1  0.446124  0.826949  0.377557  1
  H  H270  1  0.996455  0.163575  0.357847  1
  H  H271  1  0.946124  0.326949  0.377557  1
  H  H272  1  0.496455  0.330242  0.357847  1
  H  H273  1  0.446124  0.493615  0.377557  1
  H  H274  1  0.946124  -0.006385  0.377557  1
  H  H275  1  0.496455  -0.003091  0.357847  1
  H  H276  1  0.446124  0.160282  0.377557  1
  H  H277  1  0.825489  0.868363  0.376707  1
  H  H278  1  0.825489  0.535030  0.376707  1
  H  H279  1  0.874438  0.706080  0.356326  1
  H  H280  1  0.325489  0.701696  0.376707  1
  H  H281  1  0.374438  0.872747  0.356326  1
  H  H282  1  0.825489  0.201696  0.376707  1
  H  H283  1  0.874438  0.372747  0.356326  1
  H  H284  1  0.325489  0.368363  0.376707  1
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  H  H927  1  0.237491  0.571928  0.632588  1
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  H  H935  1  0.673017  0.891332  0.666046  1
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  H  H937  1  1.099602  0.770603  0.645386  1
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  H  H949  1  1.158272  0.811562  0.668471  1
  H  H950  1  1.158272  0.478229  0.668471  1
  H  H951  1  0.200240  0.648568  0.651676  1
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  H  H957  1  0.700240  0.481902  0.651676  1
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  H  H959  1  0.658272  -0.021771  0.668471  1
  H  H960  1  0.700240  0.148568  0.651676  1
  H  H961  1  0.478238  0.683897  0.691441  1
  H  H962  1  0.478238  0.350564  0.691441  1
  H  H963  1  0.455708  0.510218  0.712000  1
  H  H964  1  0.978238  0.517230  0.691441  1
  H  H965  1  0.955708  0.676885  0.712000  1
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  H  H967  1  0.455708  0.176885  0.712000  1
  H  H968  1  0.978238  0.183897  0.691441  1
  H  H969  1  0.955708  0.343552  0.712000  1
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  H  H971  1  0.978238  0.850564  0.691441  1
  H  H972  1  0.955708  0.010218  0.712000  1
  H  H973  1  0.327192  0.722577  0.709829  1
  H  H974  1  0.327192  0.389244  0.709829  1
  H  H975  1  0.359145  0.555424  0.690759  1
  H  H976  1  0.827192  0.555910  0.709829  1
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  H  H978  1  0.327192  0.055910  0.709829  1
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  H  H981  1  0.859145  0.388758  0.690759  1
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  H  H984  1  0.859145  0.055424  0.690759  1
  H  H985  1  0.221774  0.765639  0.690029  1
  H  H986  1  0.221774  0.432305  0.690029  1
  H  H987  1  0.198119  0.591296  0.712003  1
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  H  H997  1  0.312788  0.803448  0.714482  1
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  H  H999  1  0.326277  0.633301  0.708614  1
  H  H1000  1  0.812788  0.636781  0.714482  1
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  H  H1009  1  0.238726  0.679025  0.691033  1
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  H  H1017  1  0.719533  0.349695  0.695550  1
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  H  H1020  1  0.719533  0.016362  0.695550  1
  H  H1021  1  1.082913  0.719101  0.709001  1
  H  H1022  1  1.082913  0.385768  0.709001  1
  H  H1023  1  1.132753  0.562384  0.674763  1
  H  H1024  1  0.582913  0.552435  0.709001  1
  H  H1025  1  0.632753  0.729051  0.674763  1
  H  H1026  1  1.082913  0.052435  0.709001  1
  H  H1027  1  1.132753  0.229051  0.674763  1
  H  H1028  1  0.582913  0.219101  0.709001  1
  H  H1029  1  0.632753  0.395717  0.674763  1
  H  H1030  1  1.132753  0.895717  0.674763  1
  H  H1031  1  0.582913  0.885768  0.709001  1
  H  H1032  1  0.632753  0.062384  0.674763  1
  H  H1033  1  0.989145  0.762859  0.688024  1
  H  H1034  1  0.989145  0.429526  0.688024  1
  H  H1035  1  0.962863  0.598659  0.695228  1
  H  H1036  1  0.489145  0.596192  0.688024  1
  H  H1037  1  0.462863  0.765325  0.695228  1
  H  H1038  1  0.989145  0.096192  0.688024  1
  H  H1039  1  0.962863  0.265325  0.695228  1
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  H  H1043  1  0.489145  0.929526  0.688024  1
  H  H1044  1  0.462863  0.098659  0.695228  1
  H  H1045  1  1.066507  0.804969  0.710827  1
  H  H1046  1  1.066507  0.471636  0.710827  1
  H  H1047  1  1.099038  0.637997  0.693350  1
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  H  H1054  1  1.099038  -0.028670  0.693350  1
  H  H1055  1  0.566507  -0.028364  0.710827  1
  H  H1056  1  0.599038  0.137997  0.693350  1
