# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.68637527
_cell_length_b   24.68765023
_cell_length_c   48.04846983
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   106.33038628
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H864
_cell_volume   18994.9015146
_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  0.141050  0.341408  0.343951  1
  H  H2  1  1.004493  0.325715  0.367720  1
  H  H3  1  0.881478  0.320406  0.392067  1
  H  H4  1  0.809388  0.007165  0.344773  1
  H  H5  1  0.641050  0.341408  0.343951  1
  H  H6  1  0.671845  -0.008398  0.367815  1
  H  H7  1  0.549948  -0.011739  0.392657  1
  H  H8  1  0.504493  0.325715  0.367720  1
  H  H9  1  0.482082  0.677079  0.341463  1
  H  H10  1  0.381478  0.320406  0.392067  1
  H  H11  1  0.309388  0.007165  0.344773  1
  H  H12  1  0.342611  0.660159  0.366054  1
  H  H13  1  0.219188  0.655202  0.389640  1
  H  H14  1  0.171845  -0.008398  0.367815  1
  H  H15  1  0.049948  -0.011739  0.392657  1
  H  H16  1  0.982082  0.677079  0.341463  1
  H  H17  1  0.842611  0.660159  0.366054  1
  H  H18  1  0.719188  0.655202  0.389640  1
  H  H19  1  0.066096  0.413280  0.347537  1
  H  H20  1  0.952609  0.410152  0.374093  1
  H  H21  1  0.697387  0.439552  0.327682  1
  H  H22  1  0.732899  0.077449  0.346580  1
  H  H23  1  0.566096  0.413280  0.347537  1
  H  H24  1  0.622900  0.077639  0.373845  1
  H  H25  1  0.363467  0.104400  0.327592  1
  H  H26  1  0.452609  0.410152  0.374093  1
  H  H27  1  0.402836  0.745799  0.344555  1
  H  H28  1  0.197387  0.439552  0.327682  1
  H  H29  1  0.232899  0.077449  0.346580  1
  H  H30  1  0.292593  0.745232  0.371783  1
  H  H31  1  0.033919  0.776151  0.325811  1
  H  H32  1  0.122900  0.077639  0.373845  1
  H  H33  1  0.863467  0.104400  0.327592  1
  H  H34  1  0.902836  0.745799  0.344555  1
  H  H35  1  0.792593  0.745232  0.371783  1
  H  H36  1  0.533919  0.776151  0.325811  1
  H  H37  1  0.173991  0.493375  0.366721  1
  H  H38  1  0.050242  0.487556  0.390581  1
  H  H39  1  0.811918  0.509730  0.342410  1
  H  H40  1  0.835967  0.157922  0.368535  1
  H  H41  1  0.673991  0.493375  0.366721  1
  H  H42  1  0.714078  0.153946  0.393602  1
  H  H43  1  0.472271  0.173153  0.345694  1
  H  H44  1  0.550242  0.487556  0.390581  1
  H  H45  1  0.507908  0.826003  0.366798  1
  H  H46  1  0.311918  0.509730  0.342410  1
  H  H47  1  0.335967  0.157922  0.368535  1
  H  H48  1  0.385230  0.822050  0.391056  1
  H  H49  1  0.146807  0.842128  0.343136  1
  H  H50  1  0.214078  0.153946  0.393602  1
  H  H51  1  0.972271  0.173153  0.345694  1
  H  H52  1  1.007908  0.826003  0.366798  1
  H  H53  1  0.885230  0.822050  0.391056  1
  H  H54  1  0.646807  0.842128  0.343136  1
  H  H55  1  0.122228  0.577527  0.372945  1
  H  H56  1  0.866565  0.608227  0.326620  1
  H  H57  1  0.734996  0.580353  0.346147  1
  H  H58  1  0.785023  0.243139  0.375158  1
  H  H59  1  0.622228  0.577527  0.372945  1
  H  H60  1  0.528519  0.270051  0.328662  1
  H  H61  1  0.397727  0.245254  0.348388  1
  H  H62  1  0.366565  0.608227  0.326620  1
  H  H63  1  0.459413  0.911841  0.372550  1
  H  H64  1  0.234996  0.580353  0.346147  1
  H  H65  1  0.285023  0.243139  0.375158  1
  H  H66  1  0.199414  0.940106  0.326465  1
  H  H67  1  0.068707  0.911273  0.345128  1
  H  H68  1  0.028519  0.270051  0.328662  1
  H  H69  1  0.897727  0.245254  0.348388  1
  H  H70  1  0.959413  0.911841  0.372550  1
  H  H71  1  0.699414  0.940106  0.326465  1
  H  H72  1  0.568707  0.911273  0.345128  1
  H  H73  1  0.131478  0.320406  0.392067  1
  H  H74  1  0.891049  0.341408  0.343951  1
  H  H75  1  0.754493  0.325715  0.367720  1
  H  H76  1  0.799948  -0.011739  0.392657  1
  H  H77  1  0.631478  0.320406  0.392067  1
  H  H78  1  0.559388  0.007165  0.344773  1
  H  H79  1  0.421845  -0.008398  0.367815  1
  H  H80  1  0.391049  0.341408  0.343951  1
  H  H81  1  0.469188  0.655202  0.389640  1
  H  H82  1  0.254493  0.325715  0.367720  1
  H  H83  1  0.299948  -0.011739  0.392657  1
  H  H84  1  0.232082  0.677079  0.341463  1
  H  H85  1  0.092611  0.660159  0.366053  1
  H  H86  1  0.059388  0.007165  0.344773  1
  H  H87  1  0.921845  -0.008398  0.367815  1
  H  H88  1  0.969188  0.655202  0.389640  1
  H  H89  1  0.732082  0.677079  0.341463  1
  H  H90  1  0.592611  0.660159  0.366053  1
  H  H91  1  0.202609  0.410152  0.374093  1
  H  H92  1  0.947387  0.439552  0.327682  1
  H  H93  1  0.816096  0.413280  0.347537  1
  H  H94  1  0.872900  0.077639  0.373845  1
  H  H95  1  0.702609  0.410152  0.374093  1
  H  H96  1  0.613467  0.104400  0.327592  1
  H  H97  1  0.482899  0.077449  0.346580  1
  H  H98  1  0.447387  0.439552  0.327682  1
  H  H99  1  0.542593  0.745233  0.371783  1
  H  H100  1  0.316096  0.413280  0.347537  1
  H  H101  1  0.372900  0.077639  0.373845  1
  H  H102  1  0.283919  0.776150  0.325811  1
  H  H103  1  0.152836  0.745800  0.344555  1
  H  H104  1  0.113467  0.104400  0.327592  1
  H  H105  1  0.982899  0.077449  0.346580  1
  H  H106  1  0.042593  0.745233  0.371783  1
  H  H107  1  0.783919  0.776150  0.325811  1
  H  H108  1  0.652836  0.745800  0.344555  1
  H  H109  1  0.061918  0.509730  0.342410  1
  H  H110  1  0.923991  0.493375  0.366721  1
  H  H111  1  0.800242  0.487556  0.390581  1
  H  H112  1  0.722271  0.173153  0.345694  1
  H  H113  1  0.561918  0.509730  0.342410  1
  H  H114  1  0.585967  0.157922  0.368535  1
  H  H115  1  0.464078  0.153946  0.393602  1
  H  H116  1  0.423991  0.493375  0.366721  1
  H  H117  1  0.396807  0.842128  0.343136  1
  H  H118  1  0.300242  0.487556  0.390581  1
  H  H119  1  0.222271  0.173153  0.345694  1
  H  H120  1  0.257908  0.826003  0.366798  1
  H  H121  1  0.135230  0.822049  0.391057  1
  H  H122  1  0.085967  0.157922  0.368535  1
  H  H123  1  0.964078  0.153946  0.393602  1
  H  H124  1  0.896807  0.842128  0.343136  1
  H  H125  1  0.757908  0.826003  0.366798  1
  H  H126  1  0.635230  0.822049  0.391057  1
  H  H127  1  0.116565  0.608227  0.326620  1
  H  H128  1  0.984996  0.580353  0.346146  1
  H  H129  1  0.872228  0.577527  0.372945  1
  H  H130  1  0.778519  0.270051  0.328662  1
  H  H131  1  0.616565  0.608227  0.326620  1
  H  H132  1  0.647727  0.245254  0.348388  1
  H  H133  1  0.535023  0.243139  0.375158  1
  H  H134  1  0.484996  0.580353  0.346146  1
  H  H135  1  0.449414  0.940106  0.326465  1
  H  H136  1  0.372228  0.577527  0.372945  1
  H  H137  1  0.278519  0.270051  0.328662  1
  H  H138  1  0.318707  0.911273  0.345128  1
  H  H139  1  0.209413  0.911841  0.372550  1
  H  H140  1  0.147727  0.245254  0.348388  1
  H  H141  1  0.035023  0.243139  0.375158  1
  H  H142  1  0.949414  0.940106  0.326465  1
  H  H143  1  0.818707  0.911273  0.345128  1
  H  H144  1  0.709413  0.911841  0.372550  1
  H  H145  1  0.256861  0.311867  0.415593  1
  H  H146  1  0.134261  0.306043  0.439870  1
  H  H147  1  1.010658  0.299272  0.463407  1
  H  H148  1  0.924665  -0.021161  0.415847  1
  H  H149  1  0.756861  0.311867  0.415593  1
  H  H150  1  0.801764  -0.027212  0.440237  1
  H  H151  1  0.677791  0.965910  0.463667  1
  H  H152  1  0.634261  0.306043  0.439870  1
  H  H153  1  0.594549  0.645992  0.413601  1
  H  H154  1  0.510658  0.299272  0.463407  1
  H  H155  1  0.424665  -0.021161  0.415847  1
  H  H156  1  0.471300  0.639807  0.437515  1
  H  H157  1  0.347731  0.633125  0.461267  1
  H  H158  1  0.301764  -0.027212  0.440237  1
  H  H159  1  0.177791  0.965910  0.463667  1
  H  H160  1  0.094549  0.645992  0.413601  1
  H  H161  1  0.971300  0.639807  0.437515  1
  H  H162  1  0.847731  0.633125  0.461267  1
  H  H163  1  0.209996  0.394378  0.419685  1
  H  H164  1  0.087299  0.387957  0.442108  1
  H  H165  1  0.829704  0.401400  0.395139  1
  H  H166  1  0.879152  0.061881  0.419586  1
  H  H167  1  0.709996  0.394378  0.419685  1
  H  H168  1  0.755620  0.054962  0.441830  1
  H  H169  1  0.498691  0.068452  0.394496  1
  H  H170  1  0.587299  0.387957  0.442108  1
  H  H171  1  0.548686  0.728620  0.417281  1
  H  H172  1  0.329704  0.401400  0.395139  1
  H  H173  1  0.379152  0.061881  0.419586  1
  H  H174  1  0.425599  0.722111  0.439685  1
  H  H175  1  0.168872  0.736359  0.392571  1
  H  H176  1  0.255620  0.054962  0.441830  1
  H  H177  1  0.998691  0.068452  0.394496  1
  H  H178  1  0.048686  0.728620  0.417281  1
  H  H179  1  0.925599  0.722111  0.439685  1
  H  H180  1  0.668872  0.736359  0.392571  1
  H  H181  1  0.302766  0.472876  0.438445  1
  H  H182  1  0.179271  0.466228  0.462120  1
  H  H183  1  0.925791  0.478961  0.414380  1
  H  H184  1  0.966539  0.139237  0.441168  1
  H  H185  1  0.802766  0.472876  0.438445  1
  H  H186  1  0.842651  0.132352  0.464507  1
  H  H187  1  0.589071  0.145058  0.416660  1
  H  H188  1  0.679271  0.466228  0.462120  1
  H  H189  1  0.637035  0.806334  0.438704  1
  H  H190  1  0.425791  0.478961  0.414380  1
  H  H191  1  0.466539  0.139237  0.441168  1
  H  H192  1  0.513214  0.799573  0.462290  1
  H  H193  1  0.260229  0.812582  0.414554  1
  H  H194  1  0.342651  0.132352  0.464507  1
  H  H195  1  0.089071  0.145058  0.416660  1
  H  H196  1  0.137035  0.806334  0.438704  1
  H  H197  1  1.013214  0.799573  0.462290  1
  H  H198  1  0.760229  0.812582  0.414554  1
  H  H199  1  0.256362  0.554996  0.440848  1
  H  H200  1  0.999151  0.568934  0.393907  1
  H  H201  1  0.879089  0.561324  0.418411  1
  H  H202  1  0.919362  0.221085  0.443083  1
  H  H203  1  0.756362  0.554996  0.440848  1
  H  H204  1  0.661614  0.234221  0.395978  1
  H  H205  1  0.542389  0.227797  0.420838  1
  H  H206  1  0.499151  0.568934  0.393907  1
  H  H207  1  0.591485  0.888708  0.440474  1
  H  H208  1  0.379089  0.561324  0.418411  1
  H  H209  1  0.419362  0.221085  0.443083  1
  H  H210  1  0.335045  0.902746  0.393179  1
  H  H211  1  0.215016  0.895537  0.418173  1
  H  H212  1  0.161614  0.234221  0.395978  1
  H  H213  1  0.042389  0.227797  0.420838  1
  H  H214  1  0.091485  0.888708  0.440474  1
  H  H215  1  0.835045  0.902746  0.393179  1
  H  H216  1  0.715016  0.895537  0.418173  1
  H  H217  1  0.260658  0.299272  0.463406  1
  H  H218  1  1.006861  0.311867  0.415593  1
  H  H219  1  0.884261  0.306044  0.439870  1
  H  H220  1  0.927791  0.965910  0.463667  1
  H  H221  1  0.760658  0.299272  0.463406  1
  H  H222  1  0.674665  -0.021161  0.415847  1
  H  H223  1  0.551763  -0.027212  0.440237  1
  H  H224  1  0.506861  0.311867  0.415593  1
  H  H225  1  0.597730  0.633125  0.461267  1
  H  H226  1  0.384261  0.306044  0.439870  1
  H  H227  1  0.427791  0.965910  0.463667  1
  H  H228  1  0.344549  0.645992  0.413601  1
  H  H229  1  0.221300  0.639807  0.437515  1
  H  H230  1  0.174665  -0.021161  0.415847  1
  H  H231  1  0.051763  -0.027212  0.440237  1
  H  H232  1  0.097730  0.633125  0.461267  1
  H  H233  1  0.844549  0.645992  0.413601  1
  H  H234  1  0.721300  0.639807  0.437515  1
  H  H235  1  0.337299  0.387957  0.442108  1
  H  H236  1  0.079704  0.401400  0.395139  1
  H  H237  1  0.959996  0.394378  0.419685  1
  H  H238  1  1.005619  0.054962  0.441830  1
  H  H239  1  0.837299  0.387957  0.442108  1
  H  H240  1  0.748691  0.068452  0.394496  1
  H  H241  1  0.629152  0.061881  0.419586  1
  H  H242  1  0.579704  0.401400  0.395139  1
  H  H243  1  0.675599  0.722110  0.439685  1
  H  H244  1  0.459996  0.394378  0.419685  1
  H  H245  1  0.505619  0.054962  0.441830  1
  H  H246  1  0.418872  0.736359  0.392571  1
  H  H247  1  0.298686  0.728620  0.417281  1
  H  H248  1  0.248691  0.068452  0.394496  1
  H  H249  1  0.129152  0.061881  0.419586  1
  H  H250  1  0.175599  0.722110  0.439685  1
  H  H251  1  0.918872  0.736359  0.392571  1
  H  H252  1  0.798686  0.728620  0.417281  1
  H  H253  1  0.175790  0.478961  0.414380  1
  H  H254  1  0.052766  0.472876  0.438445  1
  H  H255  1  0.929271  0.466228  0.462120  1
  H  H256  1  0.839071  0.145057  0.416660  1
  H  H257  1  0.675790  0.478961  0.414380  1
  H  H258  1  0.716539  0.139237  0.441168  1
  H  H259  1  0.592651  0.132352  0.464507  1
  H  H260  1  0.552766  0.472876  0.438445  1
  H  H261  1  0.510229  0.812582  0.414554  1
  H  H262  1  0.429271  0.466228  0.462120  1
  H  H263  1  0.339071  0.145057  0.416660  1
  H  H264  1  0.387035  0.806334  0.438704  1
  H  H265  1  0.263214  0.799573  0.462290  1
  H  H266  1  0.216539  0.139237  0.441168  1
  H  H267  1  0.092651  0.132352  0.464507  1
  H  H268  1  1.010229  0.812582  0.414554  1
  H  H269  1  0.887035  0.806334  0.438704  1
  H  H270  1  0.763214  0.799573  0.462290  1
  H  H271  1  0.249151  0.568934  0.393907  1
  H  H272  1  0.129089  0.561324  0.418411  1
  H  H273  1  1.006362  0.554996  0.440848  1
  H  H274  1  0.911613  0.234221  0.395978  1
  H  H275  1  0.749151  0.568934  0.393907  1
  H  H276  1  0.792389  0.227797  0.420838  1
  H  H277  1  0.669362  0.221085  0.443083  1
  H  H278  1  0.629089  0.561324  0.418411  1
  H  H279  1  0.585044  0.902746  0.393179  1
  H  H280  1  0.506362  0.554996  0.440848  1
  H  H281  1  0.411613  0.234221  0.395978  1
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  H  H862  1  0.693692  0.658249  0.676823  1
  H  H863  1  0.571837  0.654365  0.701909  1
  H  H864  1  0.435459  0.639101  0.724725  1
