# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.56519163
_cell_length_b   25.11464531
_cell_length_c   50.05165552
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.77747370
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H864
_cell_volume   21533.1855671
_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  0.042324  0.690119  0.296861  1
  H  H2  1  0.662148  0.708653  0.271220  1
  H  H3  1  0.708990  0.356785  0.296861  1
  H  H4  1  0.755833  0.504917  0.322502  1
  H  H5  1  0.328814  0.375320  0.271220  1
  H  H6  1  0.375657  0.523452  0.296861  1
  H  H7  1  0.422500  0.671584  0.322502  1
  H  H8  1  0.375657  0.023452  0.296861  1
  H  H9  1  0.422500  0.171584  0.322502  1
  H  H10  1  0.995481  0.541987  0.271220  1
  H  H11  1  0.995481  0.041987  0.271220  1
  H  H12  1  0.042324  0.190119  0.296861  1
  H  H13  1  0.089166  0.338251  0.322502  1
  H  H14  1  0.089166  0.838251  0.322502  1
  H  H15  1  0.662148  0.208653  0.271220  1
  H  H16  1  0.708990  0.856785  0.296861  1
  H  H17  1  0.755833  0.004917  0.322502  1
  H  H18  1  0.328814  0.875320  0.271220  1
  H  H19  1  0.095889  0.609511  0.326182  1
  H  H20  1  0.715713  0.628046  0.300541  1
  H  H21  1  0.762556  0.276178  0.326182  1
  H  H22  1  0.668871  0.479914  0.274900  1
  H  H23  1  0.382380  0.294713  0.300541  1
  H  H24  1  0.429223  0.442845  0.326182  1
  H  H25  1  0.335537  0.646581  0.274900  1
  H  H26  1  0.429223  0.942845  0.326182  1
  H  H27  1  0.335537  0.146581  0.274900  1
  H  H28  1  0.049047  0.461379  0.300541  1
  H  H29  1  0.049047  0.961379  0.300541  1
  H  H30  1  0.095889  0.109511  0.326182  1
  H  H31  1  0.002204  0.313247  0.274900  1
  H  H32  1  0.002204  0.813247  0.274900  1
  H  H33  1  0.715713  0.128046  0.300541  1
  H  H34  1  0.762556  0.776178  0.326182  1
  H  H35  1  0.668871  0.979914  0.274900  1
  H  H36  1  0.382380  0.794713  0.300541  1
  H  H37  1  0.122014  0.741920  0.340483  1
  H  H38  1  0.741838  0.760455  0.314842  1
  H  H39  1  0.788681  0.408587  0.340483  1
  H  H40  1  0.694995  0.612323  0.289200  1
  H  H41  1  0.408505  0.427122  0.314842  1
  H  H42  1  0.455348  0.575254  0.340483  1
  H  H43  1  0.361662  0.778989  0.289200  1
  H  H44  1  0.455348  0.075254  0.340483  1
  H  H45  1  0.361662  0.278989  0.289200  1
  H  H46  1  0.075171  0.593788  0.314842  1
  H  H47  1  0.075171  0.093788  0.314842  1
  H  H48  1  0.122014  0.241920  0.340483  1
  H  H49  1  0.028329  0.445656  0.289200  1
  H  H50  1  0.028329  0.945656  0.289200  1
  H  H51  1  0.741838  0.260455  0.314842  1
  H  H52  1  0.788681  0.908587  0.340483  1
  H  H53  1  0.694995  0.112323  0.289200  1
  H  H54  1  0.408505  0.927122  0.314842  1
  H  H55  1  0.035052  0.716917  0.292881  1
  H  H56  1  0.795404  0.679848  0.344163  1
  H  H57  1  0.701719  0.383584  0.292881  1
  H  H58  1  0.748561  0.531716  0.318522  1
  H  H59  1  0.462071  0.346514  0.344163  1
  H  H60  1  0.368385  0.550250  0.292881  1
  H  H61  1  0.415228  0.698382  0.318522  1
  H  H62  1  0.368385  0.050250  0.292881  1
  H  H63  1  0.415228  0.198382  0.318522  1
  H  H64  1  0.128737  0.513181  0.344163  1
  H  H65  1  0.128737  0.013181  0.344163  1
  H  H66  1  0.035052  0.216917  0.292881  1
  H  H67  1  0.081895  0.365049  0.318522  1
  H  H68  1  0.081895  0.865049  0.318522  1
  H  H69  1  0.795404  0.179848  0.344163  1
  H  H70  1  0.701719  0.883584  0.292881  1
  H  H71  1  0.748561  0.031716  0.318522  1
  H  H72  1  0.462071  0.846514  0.344163  1
  H  H73  1  0.232412  0.680851  0.309682  1
  H  H74  1  0.852236  0.699386  0.284041  1
  H  H75  1  0.899078  0.347518  0.309682  1
  H  H76  1  0.945921  0.495650  0.335323  1
  H  H77  1  0.518902  0.366053  0.284041  1
  H  H78  1  0.565745  0.514185  0.309682  1
  H  H79  1  0.612588  0.662317  0.335323  1
  H  H80  1  0.565745  0.014185  0.309682  1
  H  H81  1  0.612588  0.162317  0.335323  1
  H  H82  1  0.185569  0.532719  0.284041  1
  H  H83  1  0.185569  0.032719  0.284041  1
  H  H84  1  0.232412  0.180851  0.309682  1
  H  H85  1  0.279254  0.328983  0.335323  1
  H  H86  1  0.279254  0.828983  0.335323  1
  H  H87  1  0.852236  0.199386  0.284041  1
  H  H88  1  0.899078  0.847518  0.309682  1
  H  H89  1  0.945921  0.995650  0.335323  1
  H  H90  1  0.518902  0.866053  0.284041  1
  H  H91  1  0.285977  0.600244  0.339003  1
  H  H92  1  0.905801  0.618779  0.313362  1
  H  H93  1  0.952644  0.266911  0.339003  1
  H  H94  1  0.858959  0.470647  0.287721  1
  H  H95  1  0.572468  0.285445  0.313362  1
  H  H96  1  0.619311  0.433578  0.339003  1
  H  H97  1  0.525625  0.637313  0.287721  1
  H  H98  1  0.619311  0.933578  0.339003  1
  H  H99  1  0.525625  0.137313  0.287721  1
  H  H100  1  0.239135  0.452112  0.313362  1
  H  H101  1  0.239135  0.952112  0.313362  1
  H  H102  1  0.285977  0.100244  0.339003  1
  H  H103  1  0.192292  0.303980  0.287721  1
  H  H104  1  0.192292  0.803980  0.287721  1
  H  H105  1  0.905801  0.118779  0.313362  1
  H  H106  1  0.952644  0.766911  0.339003  1
  H  H107  1  0.858959  0.970647  0.287721  1
  H  H108  1  0.572468  0.785445  0.313362  1
  H  H109  1  0.171574  0.788257  0.276380  1
  H  H110  1  0.931926  0.751188  0.327662  1
  H  H111  1  0.838241  0.454923  0.276380  1
  H  H112  1  0.885083  0.603055  0.302021  1
  H  H113  1  0.598593  0.417854  0.327662  1
  H  H114  1  0.504907  0.621590  0.276380  1
  H  H115  1  0.551750  0.769722  0.302021  1
  H  H116  1  0.504907  0.121590  0.276380  1
  H  H117  1  0.551750  0.269722  0.302021  1
  H  H118  1  0.265259  0.584521  0.327662  1
  H  H119  1  0.265259  0.084521  0.327662  1
  H  H120  1  0.171574  0.288257  0.276380  1
  H  H121  1  0.218417  0.436389  0.302021  1
  H  H122  1  0.218417  0.936389  0.302021  1
  H  H123  1  0.931926  0.251188  0.327662  1
  H  H124  1  0.838241  0.954923  0.276380  1
  H  H125  1  0.885083  0.103055  0.302021  1
  H  H126  1  0.598593  0.917854  0.327662  1
  H  H127  1  0.225140  0.707650  0.305701  1
  H  H128  1  0.844964  0.726184  0.280060  1
  H  H129  1  0.891807  0.374316  0.305701  1
  H  H130  1  0.938649  0.522448  0.331342  1
  H  H131  1  0.511631  0.392851  0.280060  1
  H  H132  1  0.558473  0.540983  0.305701  1
  H  H133  1  0.605316  0.689115  0.331342  1
  H  H134  1  0.558473  0.040983  0.305701  1
  H  H135  1  0.605316  0.189115  0.331342  1
  H  H136  1  0.178297  0.559518  0.280060  1
  H  H137  1  0.178297  0.059518  0.280060  1
  H  H138  1  0.225140  0.207650  0.305701  1
  H  H139  1  0.271983  0.355782  0.331342  1
  H  H140  1  0.271983  0.855782  0.331342  1
  H  H141  1  0.844964  0.226184  0.280060  1
  H  H142  1  0.891807  0.874316  0.305701  1
  H  H143  1  0.938649  0.022448  0.331342  1
  H  H144  1  0.511631  0.892851  0.280060  1
  H  H145  1  0.182852  0.634515  0.373784  1
  H  H146  1  0.802676  0.653049  0.348143  1
  H  H147  1  0.849518  0.301181  0.373784  1
  H  H148  1  0.896361  0.449313  0.399425  1
  H  H149  1  0.469342  0.319716  0.348143  1
  H  H150  1  0.516185  0.467848  0.373784  1
  H  H151  1  0.563028  0.615980  0.399425  1
  H  H152  1  0.516185  0.967848  0.373784  1
  H  H153  1  0.563028  0.115980  0.399425  1
  H  H154  1  0.136009  0.486383  0.348143  1
  H  H155  1  0.136009  0.986383  0.348143  1
  H  H156  1  0.182852  0.134515  0.373784  1
  H  H157  1  0.229694  0.282647  0.399425  1
  H  H158  1  0.229694  0.782647  0.399425  1
  H  H159  1  0.802676  0.153049  0.348143  1
  H  H160  1  0.849518  0.801181  0.373784  1
  H  H161  1  0.896361  0.949313  0.399425  1
  H  H162  1  0.469342  0.819716  0.348143  1
  H  H163  1  0.236418  0.553908  0.403105  1
  H  H164  1  0.856242  0.572442  0.377464  1
  H  H165  1  0.903084  0.220574  0.403105  1
  H  H166  1  0.809399  0.424310  0.351823  1
  H  H167  1  0.522908  0.239109  0.377464  1
  H  H168  1  0.569751  0.387241  0.403105  1
  H  H169  1  0.476065  0.590977  0.351823  1
  H  H170  1  0.569751  0.887241  0.403105  1
  H  H171  1  0.476065  0.090977  0.351823  1
  H  H172  1  0.189575  0.405776  0.377464  1
  H  H173  1  0.189575  0.905776  0.377464  1
  H  H174  1  0.236418  0.053908  0.403105  1
  H  H175  1  0.142732  0.257644  0.351823  1
  H  H176  1  0.142732  0.757644  0.351823  1
  H  H177  1  0.856242  0.072442  0.377464  1
  H  H178  1  0.903084  0.720574  0.403105  1
  H  H179  1  0.809399  0.924310  0.351823  1
  H  H180  1  0.522908  0.739109  0.377464  1
  H  H181  1  0.262542  0.686316  0.417406  1
  H  H182  1  0.882366  0.704851  0.391765  1
  H  H183  1  0.929209  0.352983  0.417406  1
  H  H184  1  0.835524  0.556719  0.366124  1
  H  H185  1  0.549033  0.371518  0.391765  1
  H  H186  1  0.595876  0.519650  0.417406  1
  H  H187  1  0.502190  0.723386  0.366124  1
  H  H188  1  0.595876  0.019650  0.417406  1
  H  H189  1  0.502190  0.223386  0.366124  1
  H  H190  1  0.215700  0.538184  0.391765  1
  H  H191  1  0.215700  0.038184  0.391765  1
  H  H192  1  0.262542  0.186316  0.417406  1
  H  H193  1  0.168857  0.390052  0.366124  1
  H  H194  1  0.168857  0.890052  0.366124  1
  H  H195  1  0.882366  0.204851  0.391765  1
  H  H196  1  0.929209  0.852983  0.417406  1
  H  H197  1  0.835524  0.056719  0.366124  1
  H  H198  1  0.549033  0.871518  0.391765  1
  H  H199  1  0.175580  0.661313  0.369804  1
  H  H200  1  0.935932  0.624244  0.421086  1
  H  H201  1  0.842247  0.327980  0.369804  1
  H  H202  1  0.889089  0.476112  0.395445  1
  H  H203  1  0.602599  0.290910  0.421086  1
  H  H204  1  0.508913  0.494646  0.369804  1
  H  H205  1  0.555756  0.642778  0.395445  1
  H  H206  1  0.508913  0.994646  0.369804  1
  H  H207  1  0.555756  0.142778  0.395445  1
  H  H208  1  0.269265  0.457577  0.421086  1
  H  H209  1  0.269265  0.957577  0.421086  1
  H  H210  1  0.175580  0.161313  0.369804  1
  H  H211  1  0.222423  0.309445  0.395445  1
  H  H212  1  0.222423  0.809445  0.395445  1
  H  H213  1  0.935932  0.124244  0.421086  1
  H  H214  1  0.842247  0.827980  0.369804  1
  H  H215  1  0.889089  0.976112  0.395445  1
  H  H216  1  0.602599  0.790910  0.421086  1
  H  H217  1  0.372940  0.625247  0.386605  1
  H  H218  1  0.992764  0.643782  0.360964  1
  H  H219  1  0.039606  0.291914  0.386605  1
  H  H220  1  0.086449  0.440046  0.412246  1
  H  H221  1  0.659430  0.310449  0.360964  1
  H  H222  1  0.706273  0.458581  0.386605  1
  H  H223  1  0.753116  0.606713  0.412246  1
  H  H224  1  0.706273  0.958581  0.386605  1
  H  H225  1  0.753116  0.106713  0.412246  1
  H  H226  1  0.326097  0.477115  0.360964  1
  H  H227  1  0.326097  0.977115  0.360964  1
  H  H228  1  0.372940  0.125247  0.386605  1
  H  H229  1  0.419782  0.273379  0.412246  1
  H  H230  1  0.419782  0.773379  0.412246  1
  H  H231  1  0.992764  0.143782  0.360964  1
  H  H232  1  0.039606  0.791914  0.386605  1
  H  H233  1  0.086449  0.940046  0.412246  1
  H  H234  1  0.659430  0.810449  0.360964  1
  H  H235  1  0.426506  0.544640  0.415926  1
  H  H236  1  0.046330  0.563175  0.390285  1
  H  H237  1  0.093172  0.211307  0.415926  1
  H  H238  1  0.999487  0.415043  0.364644  1
  H  H239  1  0.712996  0.229842  0.390285  1
  H  H240  1  0.759839  0.377974  0.415926  1
  H  H241  1  0.666154  0.581710  0.364644  1
  H  H242  1  0.759839  0.877974  0.415926  1
  H  H243  1  0.666154  0.081710  0.364644  1
  H  H244  1  0.379663  0.396508  0.390285  1
  H  H245  1  0.379663  0.896508  0.390285  1
  H  H246  1  0.426506  0.044640  0.415926  1
  H  H247  1  0.332820  0.248376  0.364644  1
  H  H248  1  0.332820  0.748376  0.364644  1
  H  H249  1  0.046330  0.063175  0.390285  1
  H  H250  1  0.093172  0.711307  0.415926  1
  H  H251  1  0.999487  0.915043  0.364644  1
  H  H252  1  0.712996  0.729842  0.390285  1
  H  H253  1  0.312102  0.732653  0.353303  1
  H  H254  1  0.072454  0.695584  0.404585  1
  H  H255  1  0.978769  0.399320  0.353303  1
  H  H256  1  0.025612  0.547452  0.378944  1
  H  H257  1  0.739121  0.362250  0.404585  1
  H  H258  1  0.645436  0.565986  0.353303  1
  H  H259  1  0.692278  0.714118  0.378944  1
  H  H260  1  0.645436  0.065986  0.353303  1
  H  H261  1  0.692278  0.214118  0.378944  1
  H  H262  1  0.405788  0.528917  0.404585  1
  H  H263  1  0.405788  0.028917  0.404585  1
  H  H264  1  0.312102  0.232653  0.353303  1
  H  H265  1  0.358945  0.380785  0.378944  1
  H  H266  1  0.358945  0.880785  0.378944  1
  H  H267  1  0.072454  0.195584  0.404585  1
  H  H268  1  0.978769  0.899320  0.353303  1
  H  H269  1  0.025612  0.047452  0.378944  1
  H  H270  1  0.739121  0.862250  0.404585  1
  H  H271  1  0.365668  0.652046  0.382624  1
  H  H272  1  0.985492  0.670580  0.356983  1
  H  H273  1  0.032335  0.318712  0.382624  1
  H  H274  1  0.079177  0.466844  0.408265  1
  H  H275  1  0.652159  0.337247  0.356983  1
  H  H276  1  0.699001  0.485379  0.382624  1
  H  H277  1  0.745844  0.633511  0.408265  1
  H  H278  1  0.699001  0.985379  0.382624  1
  H  H279  1  0.745844  0.133511  0.408265  1
  H  H280  1  0.318825  0.503914  0.356983  1
  H  H281  1  0.318825  0.003914  0.356983  1
  H  H282  1  0.365668  0.152046  0.382624  1
  H  H283  1  0.412511  0.300178  0.408265  1
  H  H284  1  0.412511  0.800178  0.408265  1
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  H  H863  1  0.641290  0.744429  0.715958  1
  H  H864  1  0.214271  0.614831  0.664676  1
