# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.66432995
_cell_length_b   24.65295827
_cell_length_c   47.92939444
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   106.31088302
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H864
_cell_volume   18898.0871665
_cell_formula_units_Z   432
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  0.144596  0.345361  0.342166  1
  H  H2  1  1.007146  0.329135  0.366607  1
  H  H3  1  0.883036  0.322463  0.390294  1
  H  H4  1  0.803283  0.008084  0.346561  1
  H  H5  1  0.644596  0.345361  0.342166  1
  H  H6  1  0.667233  -0.007126  0.369204  1
  H  H7  1  0.545534  -0.011333  0.394429  1
  H  H8  1  0.507146  0.329135  0.366607  1
  H  H9  1  0.480155  0.677789  0.342864  1
  H  H10  1  0.383036  0.322463  0.390294  1
  H  H11  1  0.303283  0.008084  0.346561  1
  H  H12  1  0.341068  0.661408  0.366603  1
  H  H13  1  0.218352  0.657162  0.390773  1
  H  H14  1  0.167233  -0.007126  0.369204  1
  H  H15  1  0.045534  -0.011333  0.394429  1
  H  H16  1  0.980155  0.677789  0.342864  1
  H  H17  1  0.841068  0.661408  0.366603  1
  H  H18  1  0.718352  0.657162  0.390773  1
  H  H19  1  0.067938  0.416456  0.346591  1
  H  H20  1  0.953791  0.412626  0.373179  1
  H  H21  1  0.699569  0.443382  0.326617  1
  H  H22  1  0.729149  0.080715  0.349588  1
  H  H23  1  0.567938  0.416456  0.346591  1
  H  H24  1  0.615356  0.078021  0.376205  1
  H  H25  1  0.359867  0.104444  0.329501  1
  H  H26  1  0.453791  0.412626  0.373179  1
  H  H27  1  0.401584  0.746658  0.344961  1
  H  H28  1  0.199569  0.443382  0.326617  1
  H  H29  1  0.229149  0.080715  0.349588  1
  H  H30  1  0.292483  0.747185  0.372472  1
  H  H31  1  0.032194  0.775773  0.326375  1
  H  H32  1  0.115356  0.078021  0.376205  1
  H  H33  1  0.859867  0.104444  0.329501  1
  H  H34  1  0.901584  0.746658  0.344961  1
  H  H35  1  0.792483  0.747185  0.372472  1
  H  H36  1  0.532194  0.775773  0.326375  1
  H  H37  1  0.176332  0.495924  0.365574  1
  H  H38  1  0.052673  0.490308  0.388919  1
  H  H39  1  0.815721  0.512995  0.340749  1
  H  H40  1  0.836621  0.161195  0.368070  1
  H  H41  1  0.676332  0.495924  0.365574  1
  H  H42  1  0.713433  0.155172  0.392341  1
  H  H43  1  0.472632  0.176669  0.344252  1
  H  H44  1  0.552673  0.490308  0.388919  1
  H  H45  1  0.504233  0.826674  0.368007  1
  H  H46  1  0.315721  0.512995  0.340749  1
  H  H47  1  0.336621  0.161195  0.368070  1
  H  H48  1  0.382500  0.823274  0.392902  1
  H  H49  1  0.141891  0.842446  0.345018  1
  H  H50  1  0.213433  0.155172  0.392341  1
  H  H51  1  0.972632  0.176669  0.344252  1
  H  H52  1  1.004233  0.826674  0.368007  1
  H  H53  1  0.882500  0.823274  0.392902  1
  H  H54  1  0.641891  0.842446  0.345018  1
  H  H55  1  0.125415  0.580522  0.371511  1
  H  H56  1  0.867003  0.612126  0.325510  1
  H  H57  1  0.736026  0.581648  0.344301  1
  H  H58  1  0.783374  0.245113  0.374774  1
  H  H59  1  0.625415  0.580522  0.371511  1
  H  H60  1  0.529663  0.274265  0.328136  1
  H  H61  1  0.398393  0.249229  0.348472  1
  H  H62  1  0.367003  0.612126  0.325510  1
  H  H63  1  0.455022  0.912806  0.374218  1
  H  H64  1  0.236026  0.581648  0.344301  1
  H  H65  1  0.283374  0.245113  0.374774  1
  H  H66  1  0.195368  0.939619  0.327928  1
  H  H67  1  0.064892  0.912554  0.346882  1
  H  H68  1  0.029663  0.274265  0.328136  1
  H  H69  1  0.898393  0.249229  0.348472  1
  H  H70  1  0.955022  0.912806  0.374218  1
  H  H71  1  0.695368  0.939619  0.327928  1
  H  H72  1  0.564892  0.912554  0.346882  1
  H  H73  1  0.133036  0.322463  0.390294  1
  H  H74  1  0.894596  0.345361  0.342166  1
  H  H75  1  0.757146  0.329135  0.366607  1
  H  H76  1  0.795534  -0.011333  0.394429  1
  H  H77  1  0.633036  0.322463  0.390294  1
  H  H78  1  0.553283  0.008084  0.346561  1
  H  H79  1  0.417233  -0.007126  0.369204  1
  H  H80  1  0.394596  0.345361  0.342166  1
  H  H81  1  0.468352  0.657162  0.390773  1
  H  H82  1  0.257146  0.329135  0.366607  1
  H  H83  1  0.295534  -0.011333  0.394429  1
  H  H84  1  0.230154  0.677789  0.342864  1
  H  H85  1  0.091068  0.661408  0.366603  1
  H  H86  1  0.053283  0.008084  0.346561  1
  H  H87  1  0.917233  -0.007126  0.369204  1
  H  H88  1  0.968352  0.657162  0.390773  1
  H  H89  1  0.730154  0.677789  0.342864  1
  H  H90  1  0.591068  0.661408  0.366603  1
  H  H91  1  0.203791  0.412626  0.373179  1
  H  H92  1  0.949569  0.443382  0.326617  1
  H  H93  1  0.817938  0.416456  0.346591  1
  H  H94  1  0.865356  0.078021  0.376204  1
  H  H95  1  0.703791  0.412626  0.373179  1
  H  H96  1  0.609867  0.104444  0.329501  1
  H  H97  1  0.479149  0.080715  0.349588  1
  H  H98  1  0.449569  0.443382  0.326617  1
  H  H99  1  0.542483  0.747185  0.372471  1
  H  H100  1  0.317938  0.416456  0.346591  1
  H  H101  1  0.365356  0.078021  0.376204  1
  H  H102  1  0.282194  0.775773  0.326375  1
  H  H103  1  0.151584  0.746658  0.344961  1
  H  H104  1  0.109867  0.104444  0.329501  1
  H  H105  1  0.979149  0.080715  0.349588  1
  H  H106  1  0.042483  0.747185  0.372471  1
  H  H107  1  0.782194  0.775773  0.326375  1
  H  H108  1  0.651584  0.746658  0.344961  1
  H  H109  1  0.065721  0.512995  0.340749  1
  H  H110  1  0.926332  0.495924  0.365574  1
  H  H111  1  0.802673  0.490308  0.388919  1
  H  H112  1  0.722632  0.176669  0.344252  1
  H  H113  1  0.565721  0.512995  0.340749  1
  H  H114  1  0.586621  0.161195  0.368070  1
  H  H115  1  0.463433  0.155172  0.392341  1
  H  H116  1  0.426332  0.495924  0.365574  1
  H  H117  1  0.391891  0.842447  0.345018  1
  H  H118  1  0.302673  0.490308  0.388919  1
  H  H119  1  0.222632  0.176669  0.344252  1
  H  H120  1  0.254233  0.826674  0.368007  1
  H  H121  1  0.132500  0.823274  0.392902  1
  H  H122  1  0.086621  0.161195  0.368070  1
  H  H123  1  0.963433  0.155172  0.392341  1
  H  H124  1  0.891891  0.842447  0.345018  1
  H  H125  1  0.754233  0.826674  0.368007  1
  H  H126  1  0.632500  0.823274  0.392902  1
  H  H127  1  0.117003  0.612126  0.325510  1
  H  H128  1  0.986026  0.581648  0.344301  1
  H  H129  1  0.875414  0.580522  0.371511  1
  H  H130  1  0.779663  0.274265  0.328136  1
  H  H131  1  0.617003  0.612126  0.325510  1
  H  H132  1  0.648393  0.249229  0.348472  1
  H  H133  1  0.533374  0.245113  0.374774  1
  H  H134  1  0.486026  0.581648  0.344301  1
  H  H135  1  0.445368  0.939619  0.327928  1
  H  H136  1  0.375414  0.580522  0.371511  1
  H  H137  1  0.279663  0.274265  0.328136  1
  H  H138  1  0.314892  0.912554  0.346882  1
  H  H139  1  0.205022  0.912806  0.374219  1
  H  H140  1  0.148393  0.249229  0.348472  1
  H  H141  1  0.033374  0.245113  0.374774  1
  H  H142  1  0.945368  0.939619  0.327928  1
  H  H143  1  0.814892  0.912554  0.346882  1
  H  H144  1  0.705022  0.912806  0.374219  1
  H  H145  1  0.258693  0.313726  0.414198  1
  H  H146  1  0.135499  0.307208  0.438186  1
  H  H147  1  1.012023  0.300411  0.461902  1
  H  H148  1  0.920475  -0.020488  0.417388  1
  H  H149  1  0.758693  0.313726  0.414198  1
  H  H150  1  0.797996  -0.026526  0.441956  1
  H  H151  1  0.674015  0.966353  0.465245  1
  H  H152  1  0.635499  0.307208  0.438186  1
  H  H153  1  0.593395  0.647370  0.414324  1
  H  H154  1  0.512023  0.300411  0.461902  1
  H  H155  1  0.420475  -0.020488  0.417388  1
  H  H156  1  0.470025  0.640746  0.438423  1
  H  H157  1  0.346198  0.633799  0.462045  1
  H  H158  1  0.297996  -0.026526  0.441956  1
  H  H159  1  0.174015  0.966353  0.465245  1
  H  H160  1  0.093395  0.647370  0.414324  1
  H  H161  1  0.970025  0.640746  0.438423  1
  H  H162  1  0.846198  0.633799  0.462045  1
  H  H163  1  0.210606  0.395676  0.418667  1
  H  H164  1  0.088160  0.389198  0.441171  1
  H  H165  1  0.830855  0.403814  0.394334  1
  H  H166  1  0.872841  0.062122  0.421943  1
  H  H167  1  0.710606  0.395676  0.418667  1
  H  H168  1  0.749921  0.055137  0.444185  1
  H  H169  1  0.491917  0.068679  0.397117  1
  H  H170  1  0.588160  0.389198  0.441171  1
  H  H171  1  0.547868  0.730234  0.418093  1
  H  H172  1  0.330855  0.403814  0.394334  1
  H  H173  1  0.372841  0.062122  0.421943  1
  H  H174  1  0.424299  0.723161  0.440397  1
  H  H175  1  0.167977  0.737801  0.393090  1
  H  H176  1  0.249921  0.055137  0.444185  1
  H  H177  1  0.991917  0.068679  0.397117  1
  H  H178  1  0.047868  0.730234  0.418093  1
  H  H179  1  0.924299  0.723161  0.440397  1
  H  H180  1  0.667977  0.737801  0.393090  1
  H  H181  1  0.304679  0.474237  0.436824  1
  H  H182  1  0.181180  0.467402  0.460640  1
  H  H183  1  0.928168  0.480863  0.413024  1
  H  H184  1  0.966242  0.140332  0.440166  1
  H  H185  1  0.804679  0.474237  0.436824  1
  H  H186  1  0.842622  0.133356  0.463723  1
  H  H187  1  0.588821  0.146434  0.415913  1
  H  H188  1  0.681180  0.467402  0.460640  1
  H  H189  1  0.634138  0.807163  0.440461  1
  H  H190  1  0.428168  0.480863  0.413024  1
  H  H191  1  0.466242  0.140332  0.440166  1
  H  H192  1  0.510087  0.800059  0.463887  1
  H  H193  1  0.257136  0.813507  0.416060  1
  H  H194  1  0.342622  0.133356  0.463723  1
  H  H195  1  0.088821  0.146434  0.415913  1
  H  H196  1  0.134138  0.807163  0.440461  1
  H  H197  1  1.010087  0.800059  0.463887  1
  H  H198  1  0.757136  0.813507  0.416060  1
  H  H199  1  0.258537  0.556515  0.439429  1
  H  H200  1  1.001806  0.571465  0.392371  1
  H  H201  1  0.881494  0.563190  0.416993  1
  H  H202  1  0.918253  0.222030  0.442918  1
  H  H203  1  0.758537  0.556515  0.439429  1
  H  H204  1  0.660616  0.236100  0.396027  1
  H  H205  1  0.540758  0.228688  0.420421  1
  H  H206  1  0.501806  0.571465  0.392371  1
  H  H207  1  0.587639  0.889295  0.442213  1
  H  H208  1  0.381494  0.563190  0.416993  1
  H  H209  1  0.418253  0.222030  0.442918  1
  H  H210  1  0.330686  0.903258  0.394847  1
  H  H211  1  0.211248  0.896514  0.419989  1
  H  H212  1  0.160616  0.236100  0.396027  1
  H  H213  1  0.040758  0.228688  0.420421  1
  H  H214  1  0.087639  0.889295  0.442213  1
  H  H215  1  0.830686  0.903258  0.394847  1
  H  H216  1  0.711248  0.896514  0.419989  1
  H  H217  1  0.262023  0.300411  0.461902  1
  H  H218  1  1.008693  0.313726  0.414198  1
  H  H219  1  0.885499  0.307208  0.438186  1
  H  H220  1  0.924015  0.966353  0.465245  1
  H  H221  1  0.762023  0.300411  0.461902  1
  H  H222  1  0.670475  -0.020488  0.417388  1
  H  H223  1  0.547996  -0.026526  0.441956  1
  H  H224  1  0.508693  0.313726  0.414198  1
  H  H225  1  0.596198  0.633799  0.462045  1
  H  H226  1  0.385499  0.307208  0.438186  1
  H  H227  1  0.424015  0.966353  0.465245  1
  H  H228  1  0.343395  0.647370  0.414324  1
  H  H229  1  0.220025  0.640745  0.438423  1
  H  H230  1  0.170475  -0.020488  0.417388  1
  H  H231  1  0.047996  -0.026526  0.441956  1
  H  H232  1  0.096198  0.633799  0.462045  1
  H  H233  1  0.843395  0.647370  0.414324  1
  H  H234  1  0.720025  0.640745  0.438423  1
  H  H235  1  0.338160  0.389198  0.441171  1
  H  H236  1  0.080855  0.403814  0.394334  1
  H  H237  1  0.960606  0.395676  0.418667  1
  H  H238  1  0.999920  0.055137  0.444186  1
  H  H239  1  0.838160  0.389198  0.441171  1
  H  H240  1  0.741917  0.068679  0.397117  1
  H  H241  1  0.622841  0.062122  0.421943  1
  H  H242  1  0.580855  0.403814  0.394334  1
  H  H243  1  0.674298  0.723161  0.440397  1
  H  H244  1  0.460606  0.395676  0.418667  1
  H  H245  1  0.499920  0.055137  0.444186  1
  H  H246  1  0.417977  0.737801  0.393090  1
  H  H247  1  0.297868  0.730234  0.418092  1
  H  H248  1  0.241917  0.068679  0.397117  1
  H  H249  1  0.122841  0.062122  0.421943  1
  H  H250  1  0.174298  0.723161  0.440397  1
  H  H251  1  0.917977  0.737801  0.393090  1
  H  H252  1  0.797868  0.730234  0.418092  1
  H  H253  1  0.178168  0.480863  0.413024  1
  H  H254  1  0.054680  0.474237  0.436824  1
  H  H255  1  0.931180  0.467402  0.460641  1
  H  H256  1  0.838821  0.146434  0.415913  1
  H  H257  1  0.678168  0.480863  0.413024  1
  H  H258  1  0.716243  0.140332  0.440166  1
  H  H259  1  0.592622  0.133356  0.463723  1
  H  H260  1  0.554680  0.474237  0.436824  1
  H  H261  1  0.507136  0.813507  0.416061  1
  H  H262  1  0.431180  0.467402  0.460641  1
  H  H263  1  0.338821  0.146434  0.415913  1
  H  H264  1  0.384138  0.807164  0.440461  1
  H  H265  1  0.260087  0.800059  0.463887  1
  H  H266  1  0.216243  0.140332  0.440166  1
  H  H267  1  0.092622  0.133356  0.463723  1
  H  H268  1  1.007136  0.813507  0.416061  1
  H  H269  1  0.884138  0.807164  0.440461  1
  H  H270  1  0.760087  0.800059  0.463887  1
  H  H271  1  0.251807  0.571465  0.392370  1
  H  H272  1  0.131494  0.563190  0.416993  1
  H  H273  1  1.008537  0.556515  0.439429  1
  H  H274  1  0.910616  0.236100  0.396027  1
  H  H275  1  0.751807  0.571465  0.392370  1
  H  H276  1  0.790757  0.228688  0.420421  1
  H  H277  1  0.668253  0.222030  0.442918  1
  H  H278  1  0.631494  0.563190  0.416993  1
  H  H279  1  0.580687  0.903258  0.394847  1
  H  H280  1  0.508537  0.556515  0.439429  1
  H  H281  1  0.410616  0.236100  0.396027  1
  H  H282  1  0.461248  0.896514  0.419989  1
  H  H283  1  0.337640  0.889295  0.442213  1
  H  H284  1  0.290757  0.228688  0.420421  1
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  H  H864  1  0.430254  0.637108  0.725816  1
