# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.44966244
_cell_length_b   12.97429829
_cell_length_c   46.68049857
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   126.54079842
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H288
_cell_volume   7517.75349029
_cell_formula_units_Z   144
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  0.960092  0.920184  0.308944  1
  H  H2  1  0.626759  0.920184  0.308944  1
  H  H3  1  0.589190  0.511713  0.290426  1
  H  H4  1  0.293425  0.920184  0.308944  1
  H  H5  1  0.255857  0.511713  0.290426  1
  H  H6  1  0.330994  0.328655  0.327463  1
  H  H7  1  0.922523  0.511713  0.290426  1
  H  H8  1  0.997661  0.328655  0.327463  1
  H  H9  1  0.664327  0.328655  0.327463  1
  H  H10  1  0.983912  0.967823  0.320685  1
  H  H11  1  0.650578  0.967823  0.320685  1
  H  H12  1  0.613010  0.559352  0.302167  1
  H  H13  1  0.317245  0.967823  0.320685  1
  H  H14  1  0.279676  0.559352  0.302167  1
  H  H15  1  0.242108  0.150881  0.283648  1
  H  H16  1  0.946343  0.559352  0.302167  1
  H  H17  1  0.908774  0.150881  0.283648  1
  H  H18  1  0.575441  0.150881  0.283648  1
  H  H19  1  0.812210  0.624419  0.318203  1
  H  H20  1  0.478876  0.624419  0.318203  1
  H  H21  1  0.441308  0.215948  0.299685  1
  H  H22  1  0.145543  0.624419  0.318203  1
  H  H23  1  0.107974  0.215948  0.299685  1
  H  H24  1  0.070406  0.807478  0.281166  1
  H  H25  1  0.774641  0.215948  0.299685  1
  H  H26  1  0.737072  0.807478  0.281166  1
  H  H27  1  0.403739  0.807478  0.281166  1
  H  H28  1  0.836029  0.672058  0.329945  1
  H  H29  1  0.502696  0.672058  0.329945  1
  H  H30  1  0.465127  0.263588  0.311426  1
  H  H31  1  0.169363  0.672058  0.329945  1
  H  H32  1  0.131794  0.263588  0.311426  1
  H  H33  1  0.094225  0.855117  0.292908  1
  H  H34  1  0.798461  0.263588  0.311426  1
  H  H35  1  0.760892  0.855117  0.292908  1
  H  H36  1  0.427559  0.855117  0.292908  1
  H  H37  1  0.072798  0.145596  0.364500  1
  H  H38  1  0.739465  0.145596  0.364500  1
  H  H39  1  0.701896  0.737125  0.345981  1
  H  H40  1  0.406132  0.145596  0.364500  1
  H  H41  1  0.368563  0.737125  0.345981  1
  H  H42  1  0.443700  0.554067  0.383018  1
  H  H43  1  0.035230  0.737125  0.345981  1
  H  H44  1  0.110367  0.554067  0.383018  1
  H  H45  1  0.777034  0.554067  0.383018  1
  H  H46  1  0.096618  0.193235  0.376241  1
  H  H47  1  0.763284  0.193235  0.376241  1
  H  H48  1  0.725716  0.784765  0.357722  1
  H  H49  1  0.429951  0.193235  0.376241  1
  H  H50  1  0.392382  0.784765  0.357722  1
  H  H51  1  0.354814  0.376294  0.339204  1
  H  H52  1  0.059049  0.784765  0.357722  1
  H  H53  1  0.021480  0.376294  0.339204  1
  H  H54  1  0.688147  0.376294  0.339204  1
  H  H55  1  0.924916  0.849832  0.373759  1
  H  H56  1  0.591583  0.849832  0.373759  1
  H  H57  1  0.554014  0.441361  0.355241  1
  H  H58  1  0.258249  0.849832  0.373759  1
  H  H59  1  0.220681  0.441361  0.355241  1
  H  H60  1  0.183112  0.032890  0.336722  1
  H  H61  1  0.887347  0.441361  0.355241  1
  H  H62  1  0.849778  0.032890  0.336722  1
  H  H63  1  0.516445  0.032890  0.336722  1
  H  H64  1  0.948736  0.897471  0.385500  1
  H  H65  1  0.615402  0.897471  0.385500  1
  H  H66  1  0.577833  0.489000  0.366982  1
  H  H67  1  0.282069  0.897471  0.385500  1
  H  H68  1  0.244500  0.489000  0.366982  1
  H  H69  1  0.206931  0.080529  0.348463  1
  H  H70  1  0.911167  0.489000  0.366982  1
  H  H71  1  0.873598  0.080529  0.348463  1
  H  H72  1  0.540265  0.080529  0.348463  1
  H  H73  1  0.185504  0.371009  0.420055  1
  H  H74  1  0.852171  0.371009  0.420055  1
  H  H75  1  0.814602  0.962538  0.401537  1
  H  H76  1  0.518838  0.371009  0.420055  1
  H  H77  1  0.481269  0.962538  0.401537  1
  H  H78  1  0.556406  0.779479  0.438574  1
  H  H79  1  0.147936  0.962538  0.401537  1
  H  H80  1  0.223073  0.779479  0.438574  1
  H  H81  1  0.889740  0.779479  0.438574  1
  H  H82  1  0.209324  0.418648  0.431797  1
  H  H83  1  0.875991  0.418648  0.431797  1
  H  H84  1  0.838422  0.010177  0.413278  1
  H  H85  1  0.542657  0.418648  0.431797  1
  H  H86  1  0.505089  0.010177  0.413278  1
  H  H87  1  0.467520  0.601706  0.394760  1
  H  H88  1  0.171755  0.010177  0.413278  1
  H  H89  1  0.134187  0.601706  0.394760  1
  H  H90  1  0.800853  0.601706  0.394760  1
  H  H91  1  0.037622  0.075244  0.429315  1
  H  H92  1  0.704289  0.075244  0.429315  1
  H  H93  1  0.666720  0.666773  0.410796  1
  H  H94  1  0.370955  0.075244  0.429315  1
  H  H95  1  0.333387  0.666773  0.410796  1
  H  H96  1  0.295818  0.258302  0.392278  1
  H  H97  1  0.000053  0.666773  0.410796  1
  H  H98  1  0.962485  0.258302  0.392278  1
  H  H99  1  0.629151  0.258302  0.392278  1
  H  H100  1  0.061442  0.122883  0.441056  1
  H  H101  1  0.728108  0.122883  0.441056  1
  H  H102  1  0.690540  0.714412  0.422537  1
  H  H103  1  0.394775  0.122883  0.441056  1
  H  H104  1  0.357206  0.714412  0.422537  1
  H  H105  1  0.319638  0.305942  0.404019  1
  H  H106  1  0.023873  0.714412  0.422537  1
  H  H107  1  0.986304  0.305942  0.404019  1
  H  H108  1  0.652971  0.305942  0.404019  1
  H  H109  1  0.298211  0.596421  0.475611  1
  H  H110  1  0.964877  0.596421  0.475611  1
  H  H111  1  0.927309  0.187950  0.457092  1
  H  H112  1  0.631544  0.596421  0.475611  1
  H  H113  1  0.593975  0.187950  0.457092  1
  H  H114  1  0.669113  0.004892  0.494129  1
  H  H115  1  0.260642  0.187950  0.457092  1
  H  H116  1  0.335779  0.004892  0.494129  1
  H  H117  1  0.002446  0.004892  0.494129  1
  H  H118  1  0.322030  0.644060  0.487352  1
  H  H119  1  0.988697  0.644060  0.487352  1
  H  H120  1  0.951128  0.235589  0.468834  1
  H  H121  1  0.655364  0.644060  0.487352  1
  H  H122  1  0.617795  0.235589  0.468834  1
  H  H123  1  0.580226  0.827118  0.450315  1
  H  H124  1  0.284461  0.235589  0.468834  1
  H  H125  1  0.246893  0.827118  0.450315  1
  H  H126  1  0.913559  0.827118  0.450315  1
  H  H127  1  0.150328  0.300656  0.484870  1
  H  H128  1  0.816995  0.300656  0.484870  1
  H  H129  1  0.779426  0.892186  0.466352  1
  H  H130  1  0.483662  0.300656  0.484870  1
  H  H131  1  0.446093  0.892186  0.466352  1
  H  H132  1  0.408524  0.483715  0.447833  1
  H  H133  1  0.112760  0.892186  0.466352  1
  H  H134  1  0.075191  0.483715  0.447833  1
  H  H135  1  0.741858  0.483715  0.447833  1
  H  H136  1  0.174148  0.348295  0.496611  1
  H  H137  1  0.840815  0.348295  0.496611  1
  H  H138  1  0.803246  0.939825  0.478093  1
  H  H139  1  0.507481  0.348295  0.496611  1
  H  H140  1  0.469912  0.939825  0.478093  1
  H  H141  1  0.432344  0.531354  0.459574  1
  H  H142  1  0.136579  0.939825  0.478093  1
  H  H143  1  0.099010  0.531354  0.459574  1
  H  H144  1  0.765677  0.531354  0.459574  1
  H  H145  1  0.410917  0.821833  0.531166  1
  H  H146  1  0.077583  0.821833  0.531166  1
  H  H147  1  0.040015  0.413363  0.512648  1
  H  H148  1  0.744250  0.821833  0.531166  1
  H  H149  1  0.706681  0.413363  0.512648  1
  H  H150  1  0.781819  0.230304  0.549685  1
  H  H151  1  0.373348  0.413363  0.512648  1
  H  H152  1  0.448486  0.230304  0.549685  1
  H  H153  1  0.115152  0.230304  0.549685  1
  H  H154  1  0.434736  0.869472  0.542908  1
  H  H155  1  0.101403  0.869472  0.542908  1
  H  H156  1  0.063834  0.461002  0.524389  1
  H  H157  1  0.768070  0.869472  0.542908  1
  H  H158  1  0.730501  0.461002  0.524389  1
  H  H159  1  0.692932  0.052531  0.505871  1
  H  H160  1  0.397168  0.461002  0.524389  1
  H  H161  1  0.359599  0.052531  0.505871  1
  H  H162  1  0.026266  0.052531  0.505871  1
  H  H163  1  0.263034  0.526069  0.540426  1
  H  H164  1  0.929701  0.526069  0.540426  1
  H  H165  1  0.892132  0.117598  0.521907  1
  H  H166  1  0.596368  0.526069  0.540426  1
  H  H167  1  0.558799  0.117598  0.521907  1
  H  H168  1  0.521230  0.709127  0.503389  1
  H  H169  1  0.225466  0.117598  0.521907  1
  H  H170  1  0.187897  0.709127  0.503389  1
  H  H171  1  0.854564  0.709127  0.503389  1
  H  H172  1  0.286854  0.573708  0.552167  1
  H  H173  1  0.953521  0.573708  0.552167  1
  H  H174  1  0.915952  0.165237  0.533648  1
  H  H175  1  0.620187  0.573708  0.552167  1
  H  H176  1  0.582619  0.165237  0.533648  1
  H  H177  1  0.545050  0.756766  0.515130  1
  H  H178  1  0.249285  0.165237  0.533648  1
  H  H179  1  0.211717  0.756766  0.515130  1
  H  H180  1  0.878383  0.756766  0.515130  1
  H  H181  1  0.523623  0.047246  0.586722  1
  H  H182  1  0.190290  0.047246  0.586722  1
  H  H183  1  0.152721  0.638775  0.568203  1
  H  H184  1  0.856956  0.047246  0.586722  1
  H  H185  1  0.819388  0.638775  0.568203  1
  H  H186  1  0.894525  0.455716  0.605241  1
  H  H187  1  0.486054  0.638775  0.568203  1
  H  H188  1  0.561192  0.455716  0.605241  1
  H  H189  1  0.227858  0.455716  0.605241  1
  H  H190  1  0.547443  0.094885  0.598463  1
  H  H191  1  0.214109  0.094885  0.598463  1
  H  H192  1  0.176540  0.686414  0.579945  1
  H  H193  1  0.880776  0.094885  0.598463  1
  H  H194  1  0.843207  0.686414  0.579945  1
  H  H195  1  0.805638  0.277943  0.561426  1
  H  H196  1  0.509874  0.686414  0.579945  1
  H  H197  1  0.472305  0.277943  0.561426  1
  H  H198  1  0.138972  0.277943  0.561426  1
  H  H199  1  0.375741  0.751481  0.595981  1
  H  H200  1  0.042407  0.751481  0.595981  1
  H  H201  1  0.004839  0.343010  0.577463  1
  H  H202  1  0.709074  0.751481  0.595981  1
  H  H203  1  0.671505  0.343010  0.577463  1
  H  H204  1  0.633937  0.934540  0.558944  1
  H  H205  1  0.338172  0.343010  0.577463  1
  H  H206  1  0.300603  0.934540  0.558944  1
  H  H207  1  0.967270  0.934540  0.558944  1
  H  H208  1  0.399560  0.799120  0.607722  1
  H  H209  1  0.066227  0.799120  0.607722  1
  H  H210  1  0.028658  0.390649  0.589204  1
  H  H211  1  0.732894  0.799120  0.607722  1
  H  H212  1  0.695325  0.390649  0.589204  1
  H  H213  1  0.657756  0.982179  0.570685  1
  H  H214  1  0.361992  0.390649  0.589204  1
  H  H215  1  0.324423  0.982179  0.570685  1
  H  H216  1  0.991089  0.982179  0.570685  1
  H  H217  1  0.636329  0.272658  0.642278  1
  H  H218  1  0.302996  0.272658  0.642278  1
  H  H219  1  0.265427  0.864187  0.623759  1
  H  H220  1  0.969662  0.272658  0.642278  1
  H  H221  1  0.932094  0.864187  0.623759  1
  H  H222  1  0.007231  0.681129  0.660796  1
  H  H223  1  0.598760  0.864187  0.623759  1
  H  H224  1  0.673898  0.681129  0.660796  1
  H  H225  1  0.340565  0.681129  0.660796  1
  H  H226  1  0.660149  0.320297  0.654019  1
  H  H227  1  0.326815  0.320297  0.654019  1
  H  H228  1  0.289247  0.911826  0.635500  1
  H  H229  1  0.993482  0.320297  0.654019  1
  H  H230  1  0.955913  0.911826  0.635500  1
  H  H231  1  0.918345  0.503356  0.616982  1
  H  H232  1  0.622580  0.911826  0.635500  1
  H  H233  1  0.585011  0.503356  0.616982  1
  H  H234  1  0.251678  0.503356  0.616982  1
  H  H235  1  0.488447  0.976893  0.651537  1
  H  H236  1  0.155114  0.976893  0.651537  1
  H  H237  1  0.117545  0.568423  0.633018  1
  H  H238  1  0.821780  0.976893  0.651537  1
  H  H239  1  0.784211  0.568423  0.633018  1
  H  H240  1  0.746643  0.159952  0.614500  1
  H  H241  1  0.450878  0.568423  0.633018  1
  H  H242  1  0.413309  0.159952  0.614500  1
  H  H243  1  0.079976  0.159952  0.614500  1
  H  H244  1  0.512266  0.024533  0.663278  1
  H  H245  1  0.178933  0.024533  0.663278  1
  H  H246  1  0.141364  0.616062  0.644760  1
  H  H247  1  0.845600  0.024533  0.663278  1
  H  H248  1  0.808031  0.616062  0.644760  1
  H  H249  1  0.770462  0.207591  0.626241  1
  H  H250  1  0.474698  0.616062  0.644760  1
  H  H251  1  0.437129  0.207591  0.626241  1
  H  H252  1  0.103796  0.207591  0.626241  1
  H  H253  1  0.749035  0.498070  0.697833  1
  H  H254  1  0.415702  0.498070  0.697833  1
  H  H255  1  0.378133  0.089600  0.679315  1
  H  H256  1  0.082369  0.498070  0.697833  1
  H  H257  1  0.044800  0.089600  0.679315  1
  H  H258  1  0.119937  0.906541  0.716352  1
  H  H259  1  0.711467  0.089600  0.679315  1
  H  H260  1  0.786604  0.906541  0.716352  1
  H  H261  1  0.453271  0.906541  0.716352  1
  H  H262  1  0.772855  0.545710  0.709574  1
  H  H263  1  0.439522  0.545710  0.709574  1
  H  H264  1  0.401953  0.137239  0.691056  1
  H  H265  1  0.106188  0.545710  0.709574  1
  H  H266  1  0.068620  0.137239  0.691056  1
  H  H267  1  0.031051  0.728768  0.672537  1
  H  H268  1  0.735286  0.137239  0.691056  1
  H  H269  1  0.697717  0.728768  0.672537  1
  H  H270  1  0.364384  0.728768  0.672537  1
  H  H271  1  0.601153  0.202306  0.707092  1
  H  H272  1  0.267820  0.202306  0.707092  1
  H  H273  1  0.230251  0.793835  0.688574  1
  H  H274  1  0.934486  0.202306  0.707092  1
  H  H275  1  0.896918  0.793835  0.688574  1
  H  H276  1  0.859349  0.385364  0.670055  1
  H  H277  1  0.563584  0.793835  0.688574  1
  H  H278  1  0.526016  0.385364  0.670055  1
  H  H279  1  0.192682  0.385364  0.670055  1
  H  H280  1  0.624973  0.249945  0.718834  1
  H  H281  1  0.291639  0.249945  0.718834  1
  H  H282  1  0.254071  0.841474  0.700315  1
  H  H283  1  0.958306  0.249945  0.718834  1
  H  H284  1  0.920737  0.841474  0.700315  1
  H  H285  1  0.883168  0.433003  0.681797  1
  H  H286  1  0.587404  0.841474  0.700315  1
  H  H287  1  0.549835  0.433003  0.681797  1
  H  H288  1  0.216502  0.433003  0.681797  1
