# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.11244651
_cell_length_b   12.40280463
_cell_length_c   47.07441302
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.01315949
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H360
_cell_volume   7054.56909899
_cell_formula_units_Z   180
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  0.327891  0.840742  0.280607  1
  H  H2  1  0.337067  0.482115  0.297409  1
  H  H3  1  0.476599  0.543968  0.266168  1
  H  H4  1  0.661224  0.507409  0.280607  1
  H  H5  1  0.309932  0.210635  0.266168  1
  H  H6  1  0.494557  0.174075  0.280607  1
  H  H7  1  0.503733  0.815448  0.297409  1
  H  H8  1  0.643266  0.877301  0.266168  1
  H  H9  1  0.827891  0.840742  0.280607  1
  H  H10  1  0.837067  0.482115  0.297409  1
  H  H11  1  0.976599  0.543968  0.266168  1
  H  H12  1  0.161224  0.507409  0.280607  1
  H  H13  1  0.670400  0.148782  0.297409  1
  H  H14  1  0.809932  0.210635  0.266168  1
  H  H15  1  0.994557  0.174075  0.280607  1
  H  H16  1  1.003733  0.815448  0.297409  1
  H  H17  1  0.143266  0.877301  0.266168  1
  H  H18  1  0.170400  0.148782  0.297409  1
  H  H19  1  0.292257  0.659297  0.288563  1
  H  H20  1  0.296973  0.304800  0.307097  1
  H  H21  1  0.443776  0.355909  0.274653  1
  H  H22  1  0.625591  0.325964  0.288563  1
  H  H23  1  0.277110  0.022576  0.274653  1
  H  H24  1  0.458924  0.992631  0.288563  1
  H  H25  1  0.463640  0.638133  0.307097  1
  H  H26  1  0.610443  0.689243  0.274653  1
  H  H27  1  0.792257  0.659297  0.288563  1
  H  H28  1  0.796973  0.304800  0.307097  1
  H  H29  1  0.943776  0.355909  0.274653  1
  H  H30  1  0.125591  0.325964  0.288563  1
  H  H31  1  0.630307  0.971466  0.307097  1
  H  H32  1  0.777110  0.022576  0.274653  1
  H  H33  1  0.958924  0.992631  0.288563  1
  H  H34  1  0.963640  0.638133  0.307097  1
  H  H35  1  0.110443  0.689243  0.274653  1
  H  H36  1  0.130307  0.971466  0.307097  1
  H  H37  1  0.357701  0.770713  0.327963  1
  H  H38  1  0.368815  0.415112  0.343488  1
  H  H39  1  0.516670  0.461475  0.312574  1
  H  H40  1  0.691035  0.437380  0.327963  1
  H  H41  1  0.350003  0.128142  0.312574  1
  H  H42  1  0.524368  0.104047  0.327963  1
  H  H43  1  0.535482  0.748445  0.343488  1
  H  H44  1  0.683337  0.794809  0.312574  1
  H  H45  1  0.857701  0.770713  0.327963  1
  H  H46  1  0.868815  0.415112  0.343488  1
  H  H47  1  0.016670  0.461475  0.312574  1
  H  H48  1  0.191035  0.437380  0.327963  1
  H  H49  1  0.702148  0.081779  0.343488  1
  H  H50  1  0.850003  0.128142  0.312574  1
  H  H51  1  0.024368  0.104047  0.327963  1
  H  H52  1  0.035482  0.748445  0.343488  1
  H  H53  1  0.183337  0.794809  0.312574  1
  H  H54  1  0.202148  0.081779  0.343488  1
  H  H55  1  0.313665  0.591297  0.336310  1
  H  H56  1  0.323053  0.235164  0.351824  1
  H  H57  1  0.473704  0.281863  0.320656  1
  H  H58  1  0.646999  0.257964  0.336310  1
  H  H59  1  0.307038  0.948530  0.320656  1
  H  H60  1  0.480332  0.924631  0.336310  1
  H  H61  1  0.489720  0.568497  0.351824  1
  H  H62  1  0.640371  0.615197  0.320656  1
  H  H63  1  0.813665  0.591297  0.336310  1
  H  H64  1  0.823053  0.235164  0.351824  1
  H  H65  1  0.973704  0.281863  0.320656  1
  H  H66  1  0.146999  0.257964  0.336310  1
  H  H67  1  0.656386  0.901831  0.351824  1
  H  H68  1  0.807038  0.948530  0.320656  1
  H  H69  1  0.980332  0.924631  0.336310  1
  H  H70  1  0.989720  0.568497  0.351824  1
  H  H71  1  0.140371  0.615197  0.320656  1
  H  H72  1  0.156386  0.901831  0.351824  1
  H  H73  1  0.386172  0.701581  0.373876  1
  H  H74  1  0.394816  0.345067  0.389366  1
  H  H75  1  0.543772  0.391060  0.358642  1
  H  H76  1  0.719506  0.368248  0.373876  1
  H  H77  1  0.377106  0.057726  0.358642  1
  H  H78  1  0.552839  0.034915  0.373876  1
  H  H79  1  0.561483  0.678400  0.389366  1
  H  H80  1  0.710439  0.724393  0.358642  1
  H  H81  1  0.886172  0.701581  0.373876  1
  H  H82  1  0.894816  0.345067  0.389366  1
  H  H83  1  0.043772  0.391060  0.358642  1
  H  H84  1  0.219506  0.368248  0.373876  1
  H  H85  1  0.728150  0.011734  0.389366  1
  H  H86  1  0.877106  0.057726  0.358642  1
  H  H87  1  0.052839  0.034915  0.373876  1
  H  H88  1  0.061483  0.678400  0.389366  1
  H  H89  1  0.210439  0.724393  0.358642  1
  H  H90  1  0.228150  0.011734  0.389366  1
  H  H91  1  0.339656  0.522561  0.382200  1
  H  H92  1  0.348438  0.165779  0.397472  1
  H  H93  1  0.497765  0.212132  0.366749  1
  H  H94  1  0.672989  0.189228  0.382200  1
  H  H95  1  0.331098  0.878799  0.366749  1
  H  H96  1  0.506322  0.855894  0.382200  1
  H  H97  1  0.515104  0.499112  0.397472  1
  H  H98  1  0.664432  0.545465  0.366749  1
  H  H99  1  0.839656  0.522561  0.382200  1
  H  H100  1  0.848438  0.165779  0.397472  1
  H  H101  1  0.997765  0.212132  0.366749  1
  H  H102  1  0.172989  0.189228  0.382200  1
  H  H103  1  0.681771  0.832446  0.397472  1
  H  H104  1  0.831098  0.878799  0.366749  1
  H  H105  1  0.006322  0.855894  0.382200  1
  H  H106  1  0.015104  0.499112  0.397472  1
  H  H107  1  0.164432  0.545465  0.366749  1
  H  H108  1  0.181771  0.832446  0.397472  1
  H  H109  1  0.412214  0.631997  0.419939  1
  H  H110  1  0.420889  0.275366  0.435282  1
  H  H111  1  0.570191  0.321754  0.404608  1
  H  H112  1  0.745547  0.298664  0.419939  1
  H  H113  1  0.403524  0.988420  0.404608  1
  H  H114  1  0.578881  0.965331  0.419939  1
  H  H115  1  0.587556  0.608699  0.435282  1
  H  H116  1  0.736857  0.655087  0.404608  1
  H  H117  1  0.912214  0.631997  0.419939  1
  H  H118  1  0.920889  0.275366  0.435282  1
  H  H119  1  0.070191  0.321754  0.404608  1
  H  H120  1  0.245547  0.298664  0.419939  1
  H  H121  1  0.754223  0.942033  0.435282  1
  H  H122  1  0.903524  0.988420  0.404608  1
  H  H123  1  0.078881  0.965331  0.419939  1
  H  H124  1  0.087556  0.608699  0.435282  1
  H  H125  1  0.236857  0.655087  0.404608  1
  H  H126  1  0.254223  0.942033  0.435282  1
  H  H127  1  0.365779  0.452908  0.428095  1
  H  H128  1  0.374490  0.096294  0.443388  1
  H  H129  1  0.523762  0.142652  0.412721  1
  H  H130  1  0.699112  0.119575  0.428095  1
  H  H131  1  0.357096  0.809318  0.412721  1
  H  H132  1  0.532445  0.786242  0.428095  1
  H  H133  1  0.541156  0.429628  0.443388  1
  H  H134  1  0.690429  0.475985  0.412721  1
  H  H135  1  0.865779  0.452908  0.428095  1
  H  H136  1  0.874490  0.096294  0.443388  1
  H  H137  1  0.023762  0.142652  0.412721  1
  H  H138  1  0.199112  0.119575  0.428095  1
  H  H139  1  0.707823  0.762961  0.443388  1
  H  H140  1  0.857096  0.809318  0.412721  1
  H  H141  1  0.032445  0.786242  0.428095  1
  H  H142  1  0.041156  0.429628  0.443388  1
  H  H143  1  0.190429  0.475985  0.412721  1
  H  H144  1  0.207823  0.762961  0.443388  1
  H  H145  1  0.438254  0.562359  0.465916  1
  H  H146  1  0.446934  0.205799  0.481238  1
  H  H147  1  0.596231  0.252197  0.450586  1
  H  H148  1  0.771588  0.229025  0.465916  1
  H  H149  1  0.429564  0.918864  0.450586  1
  H  H150  1  0.604921  0.895692  0.465916  1
  H  H151  1  0.613600  0.539132  0.481238  1
  H  H152  1  0.762897  0.585530  0.450586  1
  H  H153  1  0.938254  0.562359  0.465916  1
  H  H154  1  0.946934  0.205799  0.481238  1
  H  H155  1  0.096231  0.252197  0.450586  1
  H  H156  1  0.271588  0.229025  0.465916  1
  H  H157  1  0.780267  0.872465  0.481238  1
  H  H158  1  0.929564  0.918864  0.450586  1
  H  H159  1  0.104921  0.895692  0.465916  1
  H  H160  1  0.113600  0.539132  0.481238  1
  H  H161  1  0.262897  0.585530  0.450586  1
  H  H162  1  0.280267  0.872465  0.481238  1
  H  H163  1  0.391857  0.383284  0.474027  1
  H  H164  1  0.400539  0.026743  0.489346  1
  H  H165  1  0.549827  0.073147  0.458703  1
  H  H166  1  0.725191  0.049951  0.474027  1
  H  H167  1  0.383161  0.739814  0.458703  1
  H  H168  1  0.558524  0.716618  0.474027  1
  H  H169  1  0.567206  0.360076  0.489346  1
  H  H170  1  0.716494  0.406480  0.458703  1
  H  H171  1  0.891857  0.383284  0.474027  1
  H  H172  1  0.900539  0.026743  0.489346  1
  H  H173  1  0.049827  0.073147  0.458703  1
  H  H174  1  0.225191  0.049951  0.474027  1
  H  H175  1  0.733873  0.693409  0.489346  1
  H  H176  1  0.883161  0.739814  0.458703  1
  H  H177  1  0.058524  0.716618  0.474027  1
  H  H178  1  0.067206  0.360076  0.489346  1
  H  H179  1  0.216494  0.406480  0.458703  1
  H  H180  1  0.233873  0.693409  0.489346  1
  H  H181  1  0.464302  0.492756  0.511873  1
  H  H182  1  0.472998  0.136227  0.527197  1
  H  H183  1  0.622286  0.182631  0.496554  1
  H  H184  1  0.797635  0.159423  0.511873  1
  H  H185  1  0.455620  0.849298  0.496554  1
  H  H186  1  0.630968  0.826089  0.511873  1
  H  H187  1  0.639665  0.469560  0.527197  1
  H  H188  1  0.788953  0.515964  0.496554  1
  H  H189  1  0.964302  0.492756  0.511873  1
  H  H190  1  0.972998  0.136227  0.527197  1
  H  H191  1  0.122286  0.182631  0.496554  1
  H  H192  1  0.297635  0.159423  0.511873  1
  H  H193  1  0.806332  0.802893  0.527197  1
  H  H194  1  0.955620  0.849298  0.496554  1
  H  H195  1  0.130968  0.826089  0.511873  1
  H  H196  1  0.139665  0.469560  0.527197  1
  H  H197  1  0.288953  0.515964  0.496554  1
  H  H198  1  0.306332  0.802893  0.527197  1
  H  H199  1  0.417905  0.313682  0.519985  1
  H  H200  1  0.426595  0.957177  0.535314  1
  H  H201  1  0.575892  0.003575  0.504662  1
  H  H202  1  0.751238  0.980348  0.519985  1
  H  H203  1  0.409225  0.670242  0.504662  1
  H  H204  1  0.584571  0.647015  0.519985  1
  H  H205  1  0.593262  0.290510  0.535314  1
  H  H206  1  0.742559  0.336908  0.504662  1
  H  H207  1  0.917905  0.313682  0.519985  1
  H  H208  1  0.926595  0.957177  0.535314  1
  H  H209  1  0.075892  0.003575  0.504662  1
  H  H210  1  0.251238  0.980348  0.519985  1
  H  H211  1  0.759928  0.623843  0.535314  1
  H  H212  1  0.909225  0.670242  0.504662  1
  H  H213  1  0.084571  0.647015  0.519985  1
  H  H214  1  0.093262  0.290510  0.535314  1
  H  H215  1  0.242559  0.336908  0.504662  1
  H  H216  1  0.259928  0.623843  0.535314  1
  H  H217  1  0.490381  0.423132  0.557806  1
  H  H218  1  0.499063  0.066722  0.573179  1
  H  H219  1  0.648336  0.113079  0.542512  1
  H  H220  1  0.823714  0.089799  0.557806  1
  H  H221  1  0.481669  0.779746  0.542512  1
  H  H222  1  0.657047  0.756465  0.557806  1
  H  H223  1  0.665730  0.400055  0.573179  1
  H  H224  1  0.815003  0.446413  0.542512  1
  H  H225  1  0.990381  0.423132  0.557806  1
  H  H226  1  0.999063  0.066722  0.573179  1
  H  H227  1  0.148336  0.113079  0.542512  1
  H  H228  1  0.323714  0.089799  0.557806  1
  H  H229  1  0.832397  0.733389  0.573179  1
  H  H230  1  0.981669  0.779746  0.542512  1
  H  H231  1  0.157047  0.756465  0.557806  1
  H  H232  1  0.165730  0.400055  0.573179  1
  H  H233  1  0.315003  0.446413  0.542512  1
  H  H234  1  0.332397  0.733389  0.573179  1
  H  H235  1  0.443945  0.244043  0.565961  1
  H  H236  1  0.452635  0.887620  0.581292  1
  H  H237  1  0.601936  0.934008  0.550618  1
  H  H238  1  0.777278  0.910710  0.565961  1
  H  H239  1  0.435270  0.600674  0.550618  1
  H  H240  1  0.610612  0.577376  0.565961  1
  H  H241  1  0.619302  0.220953  0.581292  1
  H  H242  1  0.768603  0.267341  0.550618  1
  H  H243  1  0.943945  0.244043  0.565961  1
  H  H244  1  0.952635  0.887620  0.581292  1
  H  H245  1  0.101936  0.934008  0.550618  1
  H  H246  1  0.277278  0.910710  0.565961  1
  H  H247  1  0.785968  0.554287  0.581292  1
  H  H248  1  0.935270  0.600674  0.550618  1
  H  H249  1  0.110612  0.577376  0.565961  1
  H  H250  1  0.119302  0.220953  0.581292  1
  H  H251  1  0.268603  0.267341  0.550618  1
  H  H252  1  0.285968  0.554287  0.581292  1
  H  H253  1  0.516503  0.353479  0.603700  1
  H  H254  1  0.525061  0.997242  0.619152  1
  H  H255  1  0.674388  0.043595  0.588428  1
  H  H256  1  0.849837  0.020146  0.603700  1
  H  H257  1  0.507721  0.710261  0.588428  1
  H  H258  1  0.683170  0.686813  0.603700  1
  H  H259  1  0.691727  0.330575  0.619152  1
  H  H260  1  0.841055  0.376928  0.588428  1
  H  H261  1  0.016503  0.353479  0.603700  1
  H  H262  1  0.025061  0.997242  0.619152  1
  H  H263  1  0.174388  0.043595  0.588428  1
  H  H264  1  0.349837  0.020146  0.603700  1
  H  H265  1  0.858394  0.663908  0.619152  1
  H  H266  1  0.007721  0.710261  0.588428  1
  H  H267  1  0.183170  0.686813  0.603700  1
  H  H268  1  0.191727  0.330575  0.619152  1
  H  H269  1  0.341055  0.376928  0.588428  1
  H  H270  1  0.358394  0.663908  0.619152  1
  H  H271  1  0.469987  0.174459  0.612024  1
  H  H272  1  0.479053  0.818314  0.627258  1
  H  H273  1  0.628009  0.864307  0.596535  1
  H  H274  1  0.803320  0.841126  0.612024  1
  H  H275  1  0.461343  0.530973  0.596535  1
  H  H276  1  0.636653  0.507792  0.612024  1
  H  H277  1  0.645720  0.151647  0.627258  1
  H  H278  1  0.794676  0.197640  0.596535  1
  H  H279  1  0.969987  0.174459  0.612024  1
  H  H280  1  0.979053  0.818314  0.627258  1
  H  H281  1  0.128009  0.864307  0.596535  1
  H  H282  1  0.303320  0.841126  0.612024  1
  H  H283  1  0.812387  0.484981  0.627258  1
  H  H284  1  0.961343  0.530973  0.596535  1
  H  H285  1  0.136653  0.507792  0.612024  1
  H  H286  1  0.145720  0.151647  0.627258  1
  H  H287  1  0.294676  0.197640  0.596535  1
  H  H288  1  0.312387  0.484981  0.627258  1
  H  H289  1  0.542494  0.284743  0.649590  1
  H  H290  1  0.549121  0.927510  0.665244  1
  H  H291  1  0.699773  0.974210  0.634076  1
  H  H292  1  0.875827  0.951410  0.649590  1
  H  H293  1  0.533106  0.640876  0.634076  1
  H  H294  1  0.709161  0.618076  0.649590  1
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  H  H299  1  0.199773  0.974210  0.634076  1
  H  H300  1  0.375827  0.951410  0.649590  1
  H  H301  1  0.882455  0.594177  0.665244  1
  H  H302  1  0.033106  0.640876  0.634076  1
  H  H303  1  0.209161  0.618076  0.649590  1
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  H  H307  1  0.498458  0.105327  0.657937  1
  H  H308  1  0.506156  0.747898  0.673326  1
  H  H309  1  0.654011  0.794262  0.642412  1
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  H  H312  1  0.665124  0.438660  0.657937  1
  H  H313  1  0.672822  0.081232  0.673326  1
  H  H314  1  0.820678  0.127595  0.642412  1
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  H  H319  1  0.839489  0.414565  0.673326  1
  H  H320  1  0.987344  0.460928  0.642412  1
  H  H321  1  0.165124  0.438660  0.657937  1
  H  H322  1  0.172822  0.081232  0.673326  1
  H  H323  1  0.320678  0.127595  0.642412  1
  H  H324  1  0.339489  0.414565  0.673326  1
  H  H325  1  0.563902  0.216743  0.697337  1
  H  H326  1  0.579049  0.853464  0.711247  1
  H  H327  1  0.725853  0.904574  0.678803  1
  H  H328  1  0.897235  0.883410  0.697337  1
  H  H329  1  0.559186  0.571241  0.678803  1
  H  H330  1  0.730569  0.550076  0.697337  1
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  H  H334  1  0.079049  0.853464  0.711247  1
  H  H335  1  0.225853  0.904574  0.678803  1
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  H  H337  1  0.912383  0.520131  0.711247  1
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  H  H340  1  0.245716  0.186798  0.711247  1
  H  H341  1  0.392519  0.237907  0.678803  1
  H  H342  1  0.412383  0.520131  0.711247  1
  H  H343  1  0.528268  0.035298  0.705293  1
  H  H344  1  0.546227  0.665406  0.719733  1
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  H  H359  1  0.352426  0.060592  0.688491  1
  H  H360  1  0.379560  0.332072  0.719733  1
