# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.93390545
_cell_length_b   16.76467548
_cell_length_c   45.97158317
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   77.60033586
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H360
_cell_volume   7477.45923185
_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  0.964437  0.767513  0.303253  1
  H  H2  1  0.346826  0.772658  0.292915  1
  H  H3  1  0.738390  0.775326  0.283830  1
  H  H4  1  0.964437  0.267513  0.303253  1
  H  H5  1  0.346826  0.272658  0.292915  1
  H  H6  1  0.738390  0.275326  0.283830  1
  H  H7  1  0.047167  0.523620  0.289276  1
  H  H8  1  0.431989  0.534111  0.280530  1
  H  H9  1  0.658970  0.515192  0.298450  1
  H  H10  1  0.047167  0.023620  0.289276  1
  H  H11  1  0.431989  0.034111  0.280530  1
  H  H12  1  0.658970  0.015192  0.298450  1
  H  H13  1  0.933034  0.409307  0.282886  1
  H  H14  1  0.328647  0.417300  0.274477  1
  H  H15  1  0.555304  0.395269  0.292701  1
  H  H16  1  0.933034  0.909307  0.282886  1
  H  H17  1  0.328647  0.917300  0.274477  1
  H  H18  1  0.555304  0.895269  0.292701  1
  H  H19  1  0.152787  0.646930  0.291164  1
  H  H20  1  0.534532  0.656771  0.282539  1
  H  H21  1  0.924507  0.659787  0.273617  1
  H  H22  1  0.152787  0.146930  0.291164  1
  H  H23  1  0.534532  0.156771  0.282539  1
  H  H24  1  0.924507  0.159787  0.273617  1
  H  H25  1  0.787565  0.744370  0.333653  1
  H  H26  1  0.176455  0.751944  0.324619  1
  H  H27  1  0.565463  0.758824  0.314905  1
  H  H28  1  0.787565  0.244370  0.333653  1
  H  H29  1  0.176455  0.251944  0.324619  1
  H  H30  1  0.565463  0.258824  0.314905  1
  H  H31  1  0.869688  0.506305  0.320463  1
  H  H32  1  0.259080  0.512263  0.311373  1
  H  H33  1  0.477834  0.496972  0.329758  1
  H  H34  1  0.869688  1.006305  0.320463  1
  H  H35  1  0.259080  0.012263  0.311373  1
  H  H36  1  0.477834  0.996972  0.329758  1
  H  H37  1  0.771414  0.383469  0.313796  1
  H  H38  1  0.157286  0.387177  0.303009  1
  H  H39  1  0.380923  0.379334  0.323238  1
  H  H40  1  0.771414  0.883469  0.313796  1
  H  H41  1  0.157286  0.887177  0.303009  1
  H  H42  1  0.380923  0.879334  0.323238  1
  H  H43  1  0.967950  0.629361  0.322328  1
  H  H44  1  0.358842  0.637301  0.313273  1
  H  H45  1  0.751159  0.637953  0.302857  1
  H  H46  1  0.967950  0.129361  0.322328  1
  H  H47  1  0.358842  0.137301  0.313273  1
  H  H48  1  0.751159  0.137953  0.302857  1
  H  H49  1  0.617132  0.722382  0.363805  1
  H  H50  1  0.004760  0.730197  0.353878  1
  H  H51  1  0.395045  0.737805  0.344415  1
  H  H52  1  0.617132  0.222382  0.363805  1
  H  H53  1  0.004760  0.230197  0.353878  1
  H  H54  1  0.395045  0.237805  0.344415  1
  H  H55  1  0.690679  0.483035  0.349897  1
  H  H56  1  0.084065  0.489790  0.340282  1
  H  H57  1  0.296899  0.475478  0.360741  1
  H  H58  1  0.690679  0.983035  0.349897  1
  H  H59  1  0.084065  0.989790  0.340282  1
  H  H60  1  0.296899  0.975478  0.360741  1
  H  H61  1  0.601417  0.365779  0.342497  1
  H  H62  1  0.988823  0.374007  0.333337  1
  H  H63  1  0.212730  0.359048  0.351803  1
  H  H64  1  0.601417  0.865779  0.342497  1
  H  H65  1  0.988823  0.874007  0.333337  1
  H  H66  1  0.212730  0.859048  0.351803  1
  H  H67  1  0.783568  0.609441  0.351551  1
  H  H68  1  0.177565  0.616610  0.341867  1
  H  H69  1  0.572355  0.620071  0.331963  1
  H  H70  1  0.783568  0.109441  0.351551  1
  H  H71  1  0.177565  0.116610  0.341867  1
  H  H72  1  0.572355  0.120071  0.331963  1
  H  H73  1  0.452235  0.703078  0.394470  1
  H  H74  1  0.839582  0.709988  0.384267  1
  H  H75  1  0.228390  0.714911  0.374295  1
  H  H76  1  0.452235  0.203078  0.394470  1
  H  H77  1  0.839582  0.209988  0.384267  1
  H  H78  1  0.228390  0.214911  0.374295  1
  H  H79  1  0.505382  0.462662  0.381100  1
  H  H80  1  0.900392  0.468759  0.370957  1
  H  H81  1  0.106769  0.456276  0.391921  1
  H  H82  1  0.505382  0.962662  0.381100  1
  H  H83  1  0.900392  0.968759  0.370957  1
  H  H84  1  0.106769  0.956276  0.391921  1
  H  H85  1  0.435658  0.343605  0.370647  1
  H  H86  1  0.823022  0.350717  0.361529  1
  H  H87  1  0.047906  0.335100  0.379669  1
  H  H88  1  0.435658  0.843605  0.370647  1
  H  H89  1  0.823022  0.850717  0.361529  1
  H  H90  1  0.047906  0.835100  0.379669  1
  H  H91  1  0.596109  0.585563  0.379673  1
  H  H92  1  0.992136  0.592536  0.370323  1
  H  H93  1  0.388330  0.599391  0.360932  1
  H  H94  1  0.596109  0.085563  0.379673  1
  H  H95  1  0.992136  0.092536  0.370323  1
  H  H96  1  0.388330  0.099391  0.360932  1
  H  H97  1  0.283850  0.699995  0.425946  1
  H  H98  1  0.673572  0.698913  0.415386  1
  H  H99  1  0.062369  0.700453  0.404979  1
  H  H100  1  0.283850  0.199995  0.425946  1
  H  H101  1  0.673572  0.198913  0.415386  1
  H  H102  1  0.062369  0.200453  0.404979  1
  H  H103  1  0.310075  0.449602  0.412839  1
  H  H104  1  0.709212  0.452359  0.402207  1
  H  H105  1  0.910089  0.449093  0.423501  1
  H  H106  1  0.310075  0.949602  0.412839  1
  H  H107  1  0.709212  0.952359  0.402207  1
  H  H108  1  0.910089  0.949093  0.423501  1
  H  H109  1  0.269881  0.324880  0.398608  1
  H  H110  1  0.657944  0.329675  0.389242  1
  H  H111  1  0.880275  0.322551  0.408306  1
  H  H112  1  0.269881  0.824880  0.398608  1
  H  H113  1  0.657944  0.829675  0.389242  1
  H  H114  1  0.880275  0.822551  0.408306  1
  H  H115  1  0.398449  0.572940  0.408914  1
  H  H116  1  0.798790  0.575707  0.399066  1
  H  H117  1  0.197197  0.579649  0.389307  1
  H  H118  1  0.398449  0.072940  0.408914  1
  H  H119  1  0.798790  0.075707  0.399066  1
  H  H120  1  0.197197  0.079649  0.389307  1
  H  H121  1  0.109317  0.706837  0.456726  1
  H  H122  1  0.501947  0.702098  0.446631  1
  H  H123  1  0.892535  0.700584  0.436278  1
  H  H124  1  0.109317  0.206837  0.456726  1
  H  H125  1  0.501947  0.202098  0.446631  1
  H  H126  1  0.892535  0.200584  0.436278  1
  H  H127  1  0.110314  0.452293  0.444386  1
  H  H128  1  0.510990  0.448832  0.433740  1
  H  H129  1  0.709468  0.455766  0.454623  1
  H  H130  1  0.110314  0.952293  0.444386  1
  H  H131  1  0.510990  0.948832  0.433740  1
  H  H132  1  0.709468  0.955766  0.454623  1
  H  H133  1  0.097764  0.322807  0.427302  1
  H  H134  1  0.489403  0.320055  0.417804  1
  H  H135  1  0.705748  0.325273  0.437097  1
  H  H136  1  0.097764  0.822807  0.427302  1
  H  H137  1  0.489403  0.820055  0.417804  1
  H  H138  1  0.705748  0.825273  0.437097  1
  H  H139  1  0.197751  0.576143  0.438070  1
  H  H140  1  0.598638  0.572394  0.428143  1
  H  H141  1  -0.000925  0.571836  0.418676  1
  H  H142  1  0.197751  0.076143  0.438070  1
  H  H143  1  0.598638  0.072394  0.428143  1
  H  H144  1  -0.000925  0.071836  0.418676  1
  H  H145  1  0.935069  0.717704  0.487336  1
  H  H146  1  0.325780  0.715256  0.477119  1
  H  H147  1  0.717817  0.710919  0.467115  1
  H  H148  1  0.935069  0.217704  0.487336  1
  H  H149  1  0.325780  0.215256  0.477119  1
  H  H150  1  0.717817  0.210919  0.467115  1
  H  H151  1  0.907075  0.464388  0.475356  1
  H  H152  1  0.308087  0.461174  0.465099  1
  H  H153  1  0.506501  0.466858  0.485591  1
  H  H154  1  0.907075  0.964388  0.475356  1
  H  H155  1  0.308087  0.961174  0.465099  1
  H  H156  1  0.506501  0.966858  0.485591  1
  H  H157  1  0.921711  0.332552  0.456801  1
  H  H158  1  0.313378  0.330381  0.446904  1
  H  H159  1  0.529987  0.334282  0.466708  1
  H  H160  1  0.921711  0.832552  0.456801  1
  H  H161  1  0.313378  0.830381  0.446904  1
  H  H162  1  0.529987  0.834282  0.466708  1
  H  H163  1  0.996088  0.585635  0.468000  1
  H  H164  1  0.396465  0.582971  0.458043  1
  H  H165  1  0.796116  0.579878  0.448062  1
  H  H166  1  0.996088  0.085635  0.468000  1
  H  H167  1  0.396465  0.082971  0.458043  1
  H  H168  1  0.796116  0.079878  0.448062  1
  H  H169  1  0.761183  0.728911  0.517585  1
  H  H170  1  0.152424  0.724873  0.507527  1
  H  H171  1  0.543869  0.720126  0.497434  1
  H  H172  1  0.761183  0.228911  0.517585  1
  H  H173  1  0.152424  0.224873  0.507527  1
  H  H174  1  0.543869  0.220126  0.497434  1
  H  H175  1  0.704886  0.474140  0.506005  1
  H  H176  1  0.105824  0.470720  0.495740  1
  H  H177  1  0.303307  0.479127  0.516186  1
  H  H178  1  0.704886  0.974140  0.506005  1
  H  H179  1  0.105824  0.970720  0.495740  1
  H  H180  1  0.303307  0.979127  0.516186  1
  H  H181  1  0.747100  0.342058  0.486622  1
  H  H182  1  0.138341  0.338020  0.476564  1
  H  H183  1  0.355655  0.346804  0.496715  1
  H  H184  1  0.747100  0.842058  0.486622  1
  H  H185  1  0.138341  0.838020  0.476564  1
  H  H186  1  0.355655  0.846804  0.496715  1
  H  H187  1  0.793701  0.596210  0.498409  1
  H  H188  1  0.194639  0.592790  0.488144  1
  H  H189  1  0.596217  0.587804  0.477963  1
  H  H190  1  0.793701  0.096210  0.498409  1
  H  H191  1  0.194639  0.092790  0.488144  1
  H  H192  1  0.596217  0.087804  0.477963  1
  H  H193  1  0.586146  0.736549  0.547245  1
  H  H194  1  0.977814  0.734378  0.537348  1
  H  H195  1  0.369537  0.732649  0.527441  1
  H  H196  1  0.586146  0.236549  0.547245  1
  H  H197  1  0.977814  0.234378  0.537348  1
  H  H198  1  0.369537  0.232649  0.527441  1
  H  H199  1  0.503060  0.483960  0.536106  1
  H  H200  1  0.903437  0.481295  0.526149  1
  H  H201  1  0.103408  0.487052  0.546087  1
  H  H202  1  0.503060  0.983960  0.536106  1
  H  H203  1  0.903437  0.981295  0.526149  1
  H  H204  1  0.103408  0.987052  0.546087  1
  H  H205  1  0.573744  0.351675  0.517030  1
  H  H206  1  0.964455  0.349226  0.506813  1
  H  H207  1  0.181707  0.356011  0.527034  1
  H  H208  1  0.573744  0.851675  0.517030  1
  H  H209  1  0.964455  0.849226  0.506813  1
  H  H210  1  0.181707  0.856011  0.527034  1
  H  H211  1  0.591437  0.605756  0.529050  1
  H  H212  1  0.992449  0.602543  0.518793  1
  H  H213  1  0.393023  0.600072  0.508558  1
  H  H214  1  0.591437  0.105756  0.529050  1
  H  H215  1  0.992449  0.102543  0.518793  1
  H  H216  1  0.393023  0.100072  0.508558  1
  H  H217  1  0.410122  0.746875  0.576345  1
  H  H218  1  0.801760  0.744123  0.566847  1
  H  H219  1  0.193776  0.741658  0.557052  1
  H  H220  1  0.410122  0.246875  0.576345  1
  H  H221  1  0.801760  0.244123  0.566847  1
  H  H222  1  0.193776  0.241658  0.557052  1
  H  H223  1  0.300886  0.494536  0.566006  1
  H  H224  1  0.701773  0.490787  0.556079  1
  H  H225  1  0.900450  0.495094  0.575473  1
  H  H226  1  0.300886  0.994536  0.566006  1
  H  H227  1  0.701773  0.990787  0.556079  1
  H  H228  1  0.900450  0.995094  0.575473  1
  H  H229  1  0.397578  0.364833  0.547518  1
  H  H230  1  0.790208  0.360093  0.537423  1
  H  H231  1  0.006989  0.366346  0.557871  1
  H  H232  1  0.397578  0.864833  0.547518  1
  H  H233  1  0.790208  0.860093  0.537423  1
  H  H234  1  0.006989  0.866346  0.557871  1
  H  H235  1  0.388534  0.618099  0.560409  1
  H  H236  1  0.789211  0.614637  0.549763  1
  H  H237  1  0.190056  0.611164  0.539526  1
  H  H238  1  0.388534  0.118099  0.560409  1
  H  H239  1  0.789211  0.114637  0.549763  1
  H  H240  1  0.190056  0.111164  0.539526  1
  H  H241  1  0.241580  0.737255  0.604907  1
  H  H242  1  0.629644  0.742051  0.595541  1
  H  H243  1  0.019250  0.744380  0.585843  1
  H  H244  1  0.241580  0.237255  0.604907  1
  H  H245  1  0.629644  0.242051  0.595541  1
  H  H246  1  0.019250  0.244380  0.585843  1
  H  H247  1  0.100735  0.491223  0.595083  1
  H  H248  1  0.501075  0.493991  0.585235  1
  H  H249  1  0.702327  0.487281  0.604842  1
  H  H250  1  0.100735  0.991223  0.595083  1
  H  H251  1  0.501075  0.993991  0.585235  1
  H  H252  1  0.702327  0.987281  0.604842  1
  H  H253  1  0.225953  0.368018  0.578763  1
  H  H254  1  0.615675  0.366935  0.568203  1
  H  H255  1  0.837155  0.366477  0.589170  1
  H  H256  1  0.225953  0.868018  0.578763  1
  H  H257  1  0.615675  0.866935  0.568203  1
  H  H258  1  0.837155  0.866477  0.589170  1
  H  H259  1  0.190312  0.614572  0.591942  1
  H  H260  1  0.589449  0.617329  0.581310  1
  H  H261  1  0.989436  0.617837  0.570648  1
  H  H262  1  0.190312  0.114572  0.591942  1
  H  H263  1  0.589449  0.117329  0.581310  1
  H  H264  1  0.989436  0.117837  0.570648  1
  H  H265  1  0.076502  0.716213  0.632620  1
  H  H266  1  0.463867  0.723326  0.623502  1
  H  H267  1  0.851618  0.731831  0.614480  1
  H  H268  1  0.076502  0.216213  0.632620  1
  H  H269  1  0.463867  0.223326  0.623502  1
  H  H270  1  0.851618  0.231831  0.614480  1
  H  H271  1  0.907388  0.474395  0.623826  1
  H  H272  1  0.303415  0.481367  0.614476  1
  H  H273  1  0.511194  0.467540  0.633217  1
  H  H274  1  0.907388  0.974395  0.623826  1
  H  H275  1  0.303415  0.981367  0.614476  1
  H  H276  1  0.511194  0.967540  0.633217  1
  H  H277  1  0.059943  0.356942  0.609882  1
  H  H278  1  0.447290  0.363853  0.599679  1
  H  H279  1  0.671135  0.352020  0.619854  1
  H  H280  1  0.059943  0.856942  0.609882  1
  H  H281  1  0.447290  0.863853  0.599679  1
  H  H282  1  0.671135  0.852020  0.619854  1
  H  H283  1  -0.000868  0.598171  0.623192  1
  H  H284  1  0.394142  0.604269  0.613049  1
  H  H285  1  0.792755  0.610654  0.602228  1
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  H  H287  1  0.394142  0.104269  0.613049  1
  H  H288  1  0.792755  0.110654  0.602228  1
  H  H289  1  0.910701  0.692924  0.660812  1
  H  H290  1  0.298107  0.701151  0.651652  1
  H  H291  1  0.686795  0.707883  0.642346  1
  H  H292  1  0.910701  0.192924  0.660812  1
  H  H293  1  0.298107  0.201151  0.651652  1
  H  H294  1  0.686795  0.207883  0.642346  1
  H  H295  1  0.721960  0.450321  0.652282  1
  H  H296  1  0.115956  0.457490  0.642598  1
  H  H297  1  0.327170  0.446860  0.662186  1
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  H  H299  1  0.115956  0.957490  0.642598  1
  H  H300  1  0.327170  0.946860  0.662186  1
  H  H301  1  0.894765  0.336733  0.640271  1
  H  H302  1  0.282392  0.344548  0.630344  1
  H  H303  1  0.504480  0.329125  0.649734  1
  H  H304  1  0.894765  0.836733  0.640271  1
  H  H305  1  0.282392  0.844548  0.630344  1
  H  H306  1  0.504480  0.829125  0.649734  1
  H  H307  1  0.815459  0.577140  0.653867  1
  H  H308  1  0.208846  0.583895  0.644252  1
  H  H309  1  0.602626  0.591453  0.633408  1
  H  H310  1  0.815459  0.077140  0.653867  1
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  H  H312  1  0.602626  0.091453  0.633408  1
  H  H313  1  0.742239  0.679754  0.691140  1
  H  H314  1  0.128110  0.683461  0.680353  1
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  H  H316  1  0.742239  0.179754  0.691140  1
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  H  H318  1  0.518601  0.187597  0.670911  1
  H  H319  1  0.540683  0.429630  0.680876  1
  H  H320  1  0.931575  0.437570  0.671821  1
  H  H321  1  0.148366  0.428978  0.691292  1
  H  H322  1  0.540683  0.929630  0.680876  1
  H  H323  1  0.931575  0.937570  0.671821  1
  H  H324  1  0.148366  0.928978  0.691292  1
  H  H325  1  0.723070  0.314987  0.669530  1
  H  H326  1  0.111959  0.322561  0.660496  1
  H  H327  1  0.334062  0.308106  0.679244  1
  H  H328  1  0.723070  0.814987  0.669530  1
  H  H329  1  0.111959  0.822561  0.660496  1
  H  H330  1  0.334062  0.808106  0.679244  1
  H  H331  1  0.640444  0.554668  0.682776  1
  H  H332  1  0.029837  0.560626  0.673686  1
  H  H333  1  0.421690  0.569958  0.664391  1
  H  H334  1  0.640444  0.054668  0.682776  1
  H  H335  1  0.029837  0.060626  0.673686  1
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  H  H337  1  0.570877  0.649630  0.719672  1
  H  H338  1  0.966491  0.657624  0.711263  1
  H  H339  1  0.344220  0.671661  0.701448  1
  H  H340  1  0.570877  0.149630  0.719672  1
  H  H341  1  0.966491  0.157624  0.711263  1
  H  H342  1  0.344220  0.171661  0.701448  1
  H  H343  1  0.364993  0.410159  0.711610  1
  H  H344  1  0.746738  0.420000  0.702985  1
  H  H345  1  0.975018  0.407143  0.720532  1
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  H  H347  1  0.746738  0.920000  0.702985  1
  H  H348  1  0.975018  0.907143  0.720532  1
  H  H349  1  0.552699  0.294273  0.701234  1
  H  H350  1  0.935087  0.299418  0.690896  1
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  H  H352  1  0.552699  0.794273  0.701234  1
  H  H353  1  0.935087  0.799418  0.690896  1
  H  H354  1  0.161134  0.791605  0.710319  1
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  H  H356  1  0.852357  0.543310  0.704873  1
  H  H357  1  0.240554  0.551738  0.695699  1
  H  H358  1  0.467536  0.032820  0.713619  1
  H  H359  1  0.852357  0.043310  0.704873  1
  H  H360  1  0.240554  0.051738  0.695699  1
