# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68535328
_cell_length_b   24.91679880
_cell_length_c   58.13104863
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.66187871
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H312
_cell_volume   6725.8628538
_cell_formula_units_Z   156
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  0.377064  0.868343  0.198671  1
  H  H2  1  0.877064  0.868343  0.198671  1
  H  H3  1  0.532893  0.201896  0.193187  1
  H  H4  1  0.186958  0.539926  0.185196  1
  H  H5  1  1.032893  0.201896  0.193187  1
  H  H6  1  0.686958  0.539926  0.185196  1
  H  H7  1  0.993350  0.616655  0.200133  1
  H  H8  1  0.493350  0.616655  0.200133  1
  H  H9  1  0.653804  0.954577  0.191439  1
  H  H10  1  0.838624  0.281829  0.206300  1
  H  H11  1  0.153804  0.954577  0.191439  1
  H  H12  1  0.338624  0.281829  0.206300  1
  H  H13  1  0.282893  0.701896  0.193187  1
  H  H14  1  0.782893  0.701896  0.193187  1
  H  H15  1  0.936958  0.039926  0.185196  1
  H  H16  1  1.127064  0.368343  0.198671  1
  H  H17  1  0.436958  0.039926  0.185196  1
  H  H18  1  0.627064  0.368343  0.198671  1
  H  H19  1  0.588624  0.781829  0.206300  1
  H  H20  1  1.088624  0.781829  0.206300  1
  H  H21  1  0.743350  0.116655  0.200133  1
  H  H22  1  0.403804  0.454577  0.191439  1
  H  H23  1  0.243350  0.116655  0.200133  1
  H  H24  1  0.903804  0.454577  0.191439  1
  H  H25  1  1.101512  0.852572  0.233272  1
  H  H26  1  0.601512  0.852572  0.233272  1
  H  H27  1  0.263474  0.188394  0.227263  1
  H  H28  1  0.909854  0.524801  0.219304  1
  H  H29  1  0.763474  0.188394  0.227263  1
  H  H30  1  0.409854  0.524801  0.219304  1
  H  H31  1  0.725232  0.601489  0.234102  1
  H  H32  1  0.225232  0.601489  0.234102  1
  H  H33  1  0.376376  0.938732  0.225806  1
  H  H34  1  0.568250  0.266039  0.240674  1
  H  H35  1  0.876376  0.938732  0.225806  1
  H  H36  1  1.068250  0.266039  0.240674  1
  H  H37  1  1.013474  0.688394  0.227263  1
  H  H38  1  0.513474  0.688394  0.227263  1
  H  H39  1  0.659854  0.024801  0.219304  1
  H  H40  1  0.851512  0.352572  0.233272  1
  H  H41  1  0.159854  0.024801  0.219304  1
  H  H42  1  0.351512  0.352572  0.233272  1
  H  H43  1  0.318250  0.766039  0.240674  1
  H  H44  1  0.818250  0.766039  0.240674  1
  H  H45  1  0.475232  0.101489  0.234102  1
  H  H46  1  1.126376  0.438732  0.225806  1
  H  H47  1  0.975232  0.101489  0.234102  1
  H  H48  1  0.626376  0.438732  0.225806  1
  H  H49  1  0.825935  0.836526  0.267448  1
  H  H50  1  0.325935  0.836526  0.267448  1
  H  H51  1  0.997580  0.172987  0.260656  1
  H  H52  1  0.633860  0.509257  0.252868  1
  H  H53  1  0.497580  0.172987  0.260656  1
  H  H54  1  1.133860  0.509257  0.252868  1
  H  H55  1  0.455521  0.585878  0.267834  1
  H  H56  1  0.955521  0.585878  0.267834  1
  H  H57  1  1.099485  0.922894  0.259792  1
  H  H58  1  0.294305  0.250018  0.274988  1
  H  H59  1  0.599485  0.922894  0.259792  1
  H  H60  1  0.794305  0.250018  0.274988  1
  H  H61  1  0.747580  0.672987  0.260656  1
  H  H62  1  0.247580  0.672987  0.260656  1
  H  H63  1  0.383860  0.009257  0.252868  1
  H  H64  1  0.575935  0.336526  0.267448  1
  H  H65  1  0.883860  0.009257  0.252868  1
  H  H66  1  1.075935  0.336526  0.267448  1
  H  H67  1  1.044305  0.750018  0.274988  1
  H  H68  1  0.544305  0.750018  0.274988  1
  H  H69  1  0.205521  0.085878  0.267834  1
  H  H70  1  0.849485  0.422894  0.259792  1
  H  H71  1  0.705521  0.085878  0.267834  1
  H  H72  1  0.349485  0.422894  0.259792  1
  H  H73  1  0.548924  0.820978  0.301741  1
  H  H74  1  1.048924  0.820978  0.301741  1
  H  H75  1  0.740334  0.157806  0.294015  1
  H  H76  1  0.358078  0.493913  0.286591  1
  H  H77  1  0.240334  0.157806  0.294015  1
  H  H78  1  0.858078  0.493913  0.286591  1
  H  H79  1  0.185328  0.570538  0.301643  1
  H  H80  1  0.685328  0.570538  0.301643  1
  H  H81  1  0.822165  0.907212  0.293849  1
  H  H82  1  1.021851  0.234540  0.309458  1
  H  H83  1  0.322165  0.907212  0.293849  1
  H  H84  1  0.521851  0.234540  0.309458  1
  H  H85  1  0.490334  0.657806  0.294015  1
  H  H86  1  0.990334  0.657806  0.294015  1
  H  H87  1  1.108078  -0.006087  0.286591  1
  H  H88  1  0.298924  0.320978  0.301741  1
  H  H89  1  0.608078  -0.006087  0.286591  1
  H  H90  1  0.798924  0.320978  0.301741  1
  H  H91  1  0.771851  0.734540  0.309458  1
  H  H92  1  0.271851  0.734540  0.309458  1
  H  H93  1  0.935328  0.070538  0.301643  1
  H  H94  1  0.572165  0.407212  0.293849  1
  H  H95  1  0.435328  0.070538  0.301643  1
  H  H96  1  1.072165  0.407212  0.293849  1
  H  H97  1  0.268241  0.806183  0.336148  1
  H  H98  1  0.768241  0.806183  0.336148  1
  H  H99  1  0.494503  0.143000  0.327295  1
  H  H100  1  1.080715  0.478558  0.320226  1
  H  H101  1  0.994503  0.143000  0.327295  1
  H  H102  1  0.580715  0.478558  0.320226  1
  H  H103  1  0.921021  0.555497  0.335493  1
  H  H104  1  0.421021  0.555497  0.335493  1
  H  H105  1  0.542231  0.892046  0.328018  1
  H  H106  1  0.749165  0.219990  0.344034  1
  H  H107  1  1.042231  0.892046  0.328018  1
  H  H108  1  0.249165  0.219990  0.344034  1
  H  H109  1  0.244503  0.643000  0.327295  1
  H  H110  1  0.744503  0.643000  0.327295  1
  H  H111  1  0.830715  -0.021442  0.320226  1
  H  H112  1  1.018241  0.306183  0.336148  1
  H  H113  1  0.330715  -0.021442  0.320226  1
  H  H114  1  0.518241  0.306183  0.336148  1
  H  H115  1  0.499165  0.719990  0.344034  1
  H  H116  1  0.999165  0.719990  0.344034  1
  H  H117  1  0.671021  0.055497  0.335493  1
  H  H118  1  0.292231  0.392046  0.328018  1
  H  H119  1  0.171021  0.055497  0.335493  1
  H  H120  1  0.792231  0.392046  0.328018  1
  H  H121  1  0.980579  0.792786  0.370626  1
  H  H122  1  0.480579  0.792786  0.370626  1
  H  H123  1  0.263324  0.128961  0.360701  1
  H  H124  1  0.798533  0.464361  0.353941  1
  H  H125  1  0.763324  0.128961  0.360701  1
  H  H126  1  0.298533  0.464361  0.353941  1
  H  H127  1  0.683306  0.543273  0.369945  1
  H  H128  1  0.183306  0.543273  0.369945  1
  H  H129  1  0.257678  0.878224  0.362301  1
  H  H130  1  0.462200  0.207359  0.378920  1
  H  H131  1  0.757678  0.878224  0.362301  1
  H  H132  1  0.962200  0.207359  0.378920  1
  H  H133  1  1.013324  0.628961  0.360701  1
  H  H134  1  0.513324  0.628961  0.360701  1
  H  H135  1  0.548533  0.964361  0.353941  1
  H  H136  1  0.730579  0.292786  0.370626  1
  H  H137  1  1.048533  0.964361  0.353941  1
  H  H138  1  0.230579  0.292786  0.370626  1
  H  H139  1  0.212200  0.707359  0.378920  1
  H  H140  1  0.712200  0.707359  0.378920  1
  H  H141  1  0.433306  0.043273  0.369945  1
  H  H142  1  1.007678  0.378224  0.362301  1
  H  H143  1  0.933306  0.043273  0.369945  1
  H  H144  1  0.507678  0.378224  0.362301  1
  H  H145  1  0.697618  0.786254  0.404978  1
  H  H146  1  0.197618  0.786254  0.404978  1
  H  H147  1  1.077913  0.119791  0.395222  1
  H  H148  1  0.505701  0.452720  0.387846  1
  H  H149  1  0.577913  0.119791  0.395222  1
  H  H150  1  1.005701  0.452720  0.387846  1
  H  H151  1  0.500125  0.537251  0.405297  1
  H  H152  1  1.000125  0.537251  0.405297  1
  H  H153  1  0.972496  0.869200  0.396678  1
  H  H154  1  0.176861  0.203475  0.413526  1
  H  H155  1  0.472496  0.869200  0.396678  1
  H  H156  1  0.676861  0.203475  0.413526  1
  H  H157  1  0.827913  0.619791  0.395222  1
  H  H158  1  0.327913  0.619791  0.395222  1
  H  H159  1  0.255701  0.952720  0.387846  1
  H  H160  1  0.447618  0.286254  0.404978  1
  H  H161  1  0.755701  0.952720  0.387846  1
  H  H162  1  0.947618  0.286254  0.404978  1
  H  H163  1  0.926861  0.703475  0.413526  1
  H  H164  1  0.426861  0.703475  0.413526  1
  H  H165  1  0.250125  0.037251  0.405297  1
  H  H166  1  0.722496  0.369200  0.396678  1
  H  H167  1  0.750125  0.037251  0.405297  1
  H  H168  1  0.222496  0.369200  0.396678  1
  H  H169  1  0.422889  0.790382  0.438853  1
  H  H170  1  0.922889  0.790382  0.438853  1
  H  H171  1  0.896136  0.122385  0.430184  1
  H  H172  1  0.218590  0.456171  0.421970  1
  H  H173  1  0.396136  0.122385  0.430184  1
  H  H174  1  0.718590  0.456171  0.421970  1
  H  H175  1  0.318195  0.539837  0.440252  1
  H  H176  1  0.818195  0.539837  0.440252  1
  H  H177  1  0.697906  0.873355  0.430546  1
  H  H178  1  0.889420  0.206856  0.447646  1
  H  H179  1  0.197906  0.873355  0.430546  1
  H  H180  1  0.389420  0.206856  0.447646  1
  H  H181  1  0.646136  0.622385  0.430184  1
  H  H182  1  1.146136  0.622385  0.430184  1
  H  H183  1  0.968590  0.956171  0.421970  1
  H  H184  1  0.172889  0.290382  0.438853  1
  H  H185  1  0.468590  0.956171  0.421970  1
  H  H186  1  0.672889  0.290382  0.438853  1
  H  H187  1  0.639420  0.706856  0.447646  1
  H  H188  1  1.139420  0.706856  0.447646  1
  H  H189  1  1.068195  0.039837  0.440252  1
  H  H190  1  0.447906  0.373355  0.430546  1
  H  H191  1  0.568195  0.039837  0.440252  1
  H  H192  1  0.947906  0.373355  0.430546  1
  H  H193  1  1.137541  0.781292  0.473238  1
  H  H194  1  0.637541  0.781292  0.473238  1
  H  H195  1  0.712568  0.116280  0.465533  1
  H  H196  1  0.932904  0.452172  0.456602  1
  H  H197  1  0.212568  0.116280  0.465533  1
  H  H198  1  0.432904  0.452172  0.456602  1
  H  H199  1  1.132742  0.530555  0.474762  1
  H  H200  1  0.632742  0.530555  0.474762  1
  H  H201  1  0.414740  0.866732  0.464909  1
  H  H202  1  0.596475  0.195154  0.481530  1
  H  H203  1  0.914740  0.866732  0.464909  1
  H  H204  1  1.096475  0.195154  0.481530  1
  H  H205  1  0.462568  0.616280  0.465533  1
  H  H206  1  0.962568  0.616280  0.465533  1
  H  H207  1  0.682904  0.952172  0.456602  1
  H  H208  1  0.887541  0.281292  0.473238  1
  H  H209  1  0.182904  0.952172  0.456602  1
  H  H210  1  0.387541  0.281292  0.473238  1
  H  H211  1  0.346475  0.695154  0.481530  1
  H  H212  1  0.846475  0.695154  0.481530  1
  H  H213  1  0.882742  0.030555  0.474762  1
  H  H214  1  0.164740  0.366732  0.464909  1
  H  H215  1  0.382742  0.030555  0.474762  1
  H  H216  1  0.664740  0.366732  0.464909  1
  H  H217  1  0.852845  0.767406  0.507520  1
  H  H218  1  0.352845  0.767406  0.507520  1
  H  H219  1  0.474434  0.103970  0.499976  1
  H  H220  1  0.646287  0.439495  0.491499  1
  H  H221  1  0.974434  0.103970  0.499976  1
  H  H222  1  1.146287  0.439495  0.491499  1
  H  H223  1  0.901890  0.516533  0.508164  1
  H  H224  1  0.401890  0.516533  0.508164  1
  H  H225  1  1.126905  0.853306  0.499412  1
  H  H226  1  0.314013  0.180929  0.515213  1
  H  H227  1  0.626905  0.853306  0.499412  1
  H  H228  1  0.814013  0.180929  0.515213  1
  H  H229  1  0.224434  0.603970  0.499976  1
  H  H230  1  0.724434  0.603970  0.499976  1
  H  H231  1  0.396287  0.939495  0.491499  1
  H  H232  1  0.602845  0.267406  0.507520  1
  H  H233  1  0.896287  0.939495  0.491499  1
  H  H234  1  1.102845  0.267406  0.507520  1
  H  H235  1  1.064013  0.680929  0.515213  1
  H  H236  1  0.564013  0.680929  0.515213  1
  H  H237  1  0.651890  0.016533  0.508164  1
  H  H238  1  0.876905  0.353306  0.499412  1
  H  H239  1  0.151890  0.016533  0.508164  1
  H  H240  1  0.376905  0.353306  0.499412  1
  H  H241  1  0.572487  0.752177  0.541684  1
  H  H242  1  1.072487  0.752177  0.541684  1
  H  H243  1  0.210158  0.089035  0.533862  1
  H  H244  1  0.374033  0.424964  0.526109  1
  H  H245  1  0.710158  0.089035  0.533862  1
  H  H246  1  0.874033  0.424964  0.526109  1
  H  H247  1  0.656365  0.501724  0.541412  1
  H  H248  1  0.156365  0.501724  0.541412  1
  H  H249  1  0.846338  0.838396  0.533810  1
  H  H250  1  1.036003  0.165659  0.548810  1
  H  H251  1  0.346338  0.838396  0.533810  1
  H  H252  1  0.536003  0.165659  0.548810  1
  H  H253  1  0.960158  0.589035  0.533862  1
  H  H254  1  0.460158  0.589035  0.533862  1
  H  H255  1  1.124033  0.924964  0.526109  1
  H  H256  1  0.322487  0.252177  0.541684  1
  H  H257  1  0.624033  0.924964  0.526109  1
  H  H258  1  0.822487  0.252177  0.541684  1
  H  H259  1  0.786003  0.665659  0.548810  1
  H  H260  1  0.286003  0.665659  0.548810  1
  H  H261  1  0.406365  0.001724  0.541412  1
  H  H262  1  0.596338  0.338396  0.533810  1
  H  H263  1  0.906365  0.001724  0.541412  1
  H  H264  1  1.096338  0.338396  0.533810  1
  H  H265  1  0.294182  0.736384  0.575695  1
  H  H266  1  0.794182  0.736384  0.575695  1
  H  H267  1  0.941010  0.073456  0.567562  1
  H  H268  1  1.102721  0.409163  0.560460  1
  H  H269  1  0.441010  0.073456  0.567562  1
  H  H270  1  0.602721  0.409163  0.560460  1
  H  H271  1  0.399306  0.486282  0.574614  1
  H  H272  1  0.899306  0.486282  0.574614  1
  H  H273  1  0.569307  0.822611  0.568061  1
  H  H274  1  0.759123  0.150236  0.582352  1
  H  H275  1  1.069307  0.822611  0.568061  1
  H  H276  1  0.259123  0.150236  0.582352  1
  H  H277  1  0.691010  0.573456  0.567562  1
  H  H278  1  0.191010  0.573456  0.567562  1
  H  H279  1  0.852721  0.909163  0.560460  1
  H  H280  1  1.044182  0.236384  0.575695  1
  H  H281  1  0.352721  0.909163  0.560460  1
  H  H282  1  0.544182  0.236384  0.575695  1
  H  H283  1  0.509123  0.650236  0.582352  1
  H  H284  1  1.009123  0.650236  0.582352  1
  H  H285  1  0.149306  -0.013718  0.574614  1
  H  H286  1  0.319307  0.322611  0.568061  1
  H  H287  1  0.649306  -0.013718  0.574614  1
  H  H288  1  0.819307  0.322611  0.568061  1
  H  H289  1  1.015875  0.720611  0.610091  1
  H  H290  1  0.515875  0.720611  0.610091  1
  H  H291  1  0.673463  0.058284  0.601491  1
  H  H292  1  0.831189  0.393427  0.594937  1
  H  H293  1  0.173463  0.058284  0.601491  1
  H  H294  1  0.331189  0.393427  0.594937  1
  H  H295  1  1.133370  0.472943  0.608642  1
  H  H296  1  0.633370  0.472943  0.608642  1
  H  H297  1  0.293035  0.806912  0.602706  1
  H  H298  1  0.481568  0.135140  0.616457  1
  H  H299  1  0.793035  0.806912  0.602706  1
  H  H300  1  0.981568  0.135140  0.616457  1
  H  H301  1  0.423463  0.558284  0.601491  1
  H  H302  1  0.923463  0.558284  0.601491  1
  H  H303  1  0.581189  0.893427  0.594937  1
  H  H304  1  0.765875  0.220611  0.610091  1
  H  H305  1  1.081189  0.893427  0.594937  1
  H  H306  1  0.265875  0.220611  0.610091  1
  H  H307  1  0.231568  0.635140  0.616457  1
  H  H308  1  0.731568  0.635140  0.616457  1
  H  H309  1  0.883370  -0.027057  0.608642  1
  H  H310  1  1.043035  0.306912  0.602706  1
  H  H311  1  0.383370  -0.027057  0.608642  1
  H  H312  1  0.543035  0.306912  0.602706  1
