# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.13682421
_cell_length_b   9.84246620
_cell_length_c   44.45528784
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   62.73063345
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H270
_cell_volume   5887.03509072
_cell_formula_units_Z   135
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  0.490755  0.878211  0.323856  1
  H  H2  1  0.334649  0.579939  0.316509  1
  H  H3  1  0.435646  0.695605  0.339691  1
  H  H4  1  0.520384  0.435634  0.315637  1
  H  H5  1  0.836283  0.902075  0.309281  1
  H  H6  1  -0.016031  0.641295  0.322834  1
  H  H7  1  0.239772  0.283170  0.305106  1
  H  H8  1  0.327321  0.363269  0.335356  1
  H  H9  1  0.514579  0.211628  0.330990  1
  H  H10  1  0.655696  0.711778  0.324174  1
  H  H11  1  0.914408  0.278927  0.310954  1
  H  H12  1  0.944065  0.451298  0.339682  1
  H  H13  1  0.150062  0.140289  0.317428  1
  H  H14  1  0.319286  0.973390  0.322648  1
  H  H15  1  0.729677  0.334624  0.311437  1
  H  H16  1  0.865617  0.096767  0.330586  1
  H  H17  1  0.009093  0.848196  0.308001  1
  H  H18  1  0.664142  0.939723  0.309975  1
  H  H19  1  0.595400  0.945061  0.354021  1
  H  H20  1  0.242539  0.817298  0.337639  1
  H  H21  1  0.384266  0.918198  0.369774  1
  H  H22  1  0.611543  0.533474  0.341886  1
  H  H23  1  0.927573  0.862582  0.353379  1
  H  H24  1  0.098163  0.804929  0.350828  1
  H  H25  1  0.163997  0.571840  0.322859  1
  H  H26  1  0.421450  0.484443  0.360530  1
  H  H27  1  0.587290  0.337176  0.362084  1
  H  H28  1  0.761077  0.905739  0.354133  1
  H  H29  1  0.814772  0.688235  0.323411  1
  H  H30  1  0.110199  0.396672  0.339526  1
  H  H31  1  0.252984  0.184690  0.353262  1
  H  H32  1  0.421649  0.103748  0.350997  1
  H  H33  1  0.782871  0.484837  0.340697  1
  H  H34  1  0.904323  0.259145  0.361229  1
  H  H35  1  0.041228  0.041252  0.328666  1
  H  H36  1  0.691694  0.142507  0.330292  1
  H  H37  1  0.547181  0.159058  0.380725  1
  H  H38  1  0.203916  0.006142  0.368996  1
  H  H39  1  0.331069  0.142271  0.397777  1
  H  H40  1  0.557224  0.756123  0.369449  1
  H  H41  1  0.871352  0.077012  0.381949  1
  H  H42  1  0.033261  0.032639  0.378008  1
  H  H43  1  0.248880  0.595554  0.363288  1
  H  H44  1  0.348094  0.727981  0.384736  1
  H  H45  1  0.523342  0.568460  0.386829  1
  H  H46  1  0.710745  0.116387  0.381984  1
  H  H47  1  0.893079  0.672122  0.368875  1
  H  H48  1  0.063214  0.621944  0.367688  1
  H  H49  1  0.207708  0.406004  0.378644  1
  H  H50  1  0.380241  0.315154  0.382166  1
  H  H51  1  0.727208  0.712129  0.369664  1
  H  H52  1  0.857149  0.484451  0.386101  1
  H  H53  1  0.061203  0.224984  0.358982  1
  H  H54  1  0.745846  0.298965  0.362227  1
  H  H55  1  0.494333  0.379008  0.407470  1
  H  H56  1  0.159511  0.220389  0.397686  1
  H  H57  1  0.278060  0.364786  0.425260  1
  H  H58  1  0.500965  0.980529  0.397083  1
  H  H59  1  0.821693  0.300243  0.408213  1
  H  H60  1  -0.015953  0.260831  0.404509  1
  H  H61  1  0.180303  0.813072  0.391805  1
  H  H62  1  0.290859  0.957087  0.413832  1
  H  H63  1  0.465438  0.792551  0.413574  1
  H  H64  1  0.658287  0.339381  0.408456  1
  H  H65  1  0.840200  0.889563  0.398940  1
  H  H66  1  0.008411  0.844878  0.396763  1
  H  H67  1  0.149166  0.619571  0.409302  1
  H  H68  1  0.323013  0.541594  0.408081  1
  H  H69  1  0.672750  0.932198  0.399106  1
  H  H70  1  0.804486  0.705069  0.414278  1
  H  H71  1  0.022801  0.443789  0.385052  1
  H  H72  1  0.692128  0.524658  0.387105  1
  H  H73  1  0.436850  0.602447  0.432318  1
  H  H74  1  0.107812  0.435565  0.426779  1
  H  H75  1  0.228706  0.580556  0.453526  1
  H  H76  1  0.450583  0.198408  0.425925  1
  H  H77  1  0.770604  0.520230  0.432802  1
  H  H78  1  0.934966  0.482024  0.431060  1
  H  H79  1  0.121264  0.033432  0.418168  1
  H  H80  1  0.236339  0.185268  0.442350  1
  H  H81  1  0.407376  0.018879  0.441320  1
  H  H82  1  0.603412  0.560862  0.433056  1
  H  H83  1  0.787251  0.114227  0.427316  1
  H  H84  1  -0.045209  0.073773  0.425527  1
  H  H85  1  0.089640  0.841276  0.438406  1
  H  H86  1  0.265178  0.766830  0.434478  1
  H  H87  1  0.619329  0.155073  0.426901  1
  H  H88  1  0.751160  0.928814  0.443159  1
  H  H89  1  -0.027302  0.663183  0.413003  1
  H  H90  1  0.635766  0.747308  0.414478  1
  H  H91  1  0.378723  0.827884  0.457480  1
  H  H92  1  0.177054  0.808989  0.478726  1
  H  H93  1  0.347631  0.633126  0.477975  1
  H  H94  1  0.399887  0.417885  0.452576  1
  H  H95  1  0.715066  0.743733  0.458958  1
  H  H96  1  0.883156  0.701209  0.459296  1
  H  H97  1  0.068223  0.251616  0.445499  1
  H  H98  1  0.182046  0.405910  0.471688  1
  H  H99  1  0.350064  0.248275  0.470110  1
  H  H100  1  0.544347  0.786389  0.458839  1
  H  H101  1  0.737496  0.335806  0.454508  1
  H  H102  1  0.905902  0.294956  0.453758  1
  H  H103  1  0.139625  0.222636  0.489178  1
  H  H104  1  0.202875  1.000383  0.460800  1
  H  H105  1  0.567742  0.376611  0.454041  1
  H  H106  1  0.697255  0.155295  0.471289  1
  H  H107  1  0.920372  0.886260  0.442412  1
  H  H108  1  0.579421  0.971333  0.442575  1
  H  H109  1  0.480490  0.015466  0.485945  1
  H  H110  1  0.040346  0.060808  0.469583  1
  H  H111  1  0.292918  0.859937  0.499348  1
  H  H112  1  0.512204  0.599664  0.478294  1
  H  H113  1  0.657957  0.971602  0.485961  1
  H  H114  1  0.828631  0.927506  0.487457  1
  H  H115  1  0.051361  0.650988  0.456657  1
  H  H116  1  0.298494  0.464415  0.500533  1
  H  H117  1  0.472925  0.415578  0.499660  1
  H  H118  1  0.619888  0.791894  0.502363  1
  H  H119  1  0.680881  0.560704  0.478238  1
  H  H120  1  0.847576  0.516805  0.479253  1
  H  H121  1  0.010870  0.463270  0.476301  1
  H  H122  1  0.312257  0.063363  0.485002  1
  H  H123  1  0.646589  0.382031  0.499618  1
  H  H124  1  0.819191  0.329468  0.501204  1
  H  H125  1  0.869407  0.110114  0.471583  1
  H  H126  1  0.524615  0.195195  0.471313  1
  H  H127  1  0.423455  0.236676  0.515246  1
  H  H128  1  0.203450  0.060129  0.525905  1
  H  H129  1  0.373921  0.050176  0.530116  1
  H  H130  1  0.449661  0.828516  0.503074  1
  H  H131  1  0.770310  0.153762  0.516540  1
  H  H132  1  0.938398  0.081984  0.519424  1
  H  H133  1  0.000029  0.874358  0.486861  1
  H  H134  1  0.252139  0.704537  0.524356  1
  H  H135  1  0.422737  0.640886  0.522909  1
  H  H136  1  0.559041  0.023750  0.527691  1
  H  H137  1  0.788925  0.744528  0.504436  1
  H  H138  1  -0.043835  0.691149  0.505497  1
  H  H139  1  0.137377  0.641573  0.497205  1
  H  H140  1  0.246285  0.278198  0.516416  1
  H  H141  1  0.587385  0.614144  0.522644  1
  H  H142  1  0.754756  0.562690  0.524425  1
  H  H143  1  -0.011974  0.258873  0.502422  1
  H  H144  1  0.603880  0.201910  0.514509  1
  H  H145  1  0.509144  0.263578  0.556106  1
  H  H146  1  0.095884  0.476425  0.516746  1
  H  H147  1  0.318071  0.317818  0.554898  1
  H  H148  1  0.517446  0.851569  0.545301  1
  H  H149  1  0.730334  0.375768  0.547054  1
  H  H150  1  0.907429  0.285951  0.550317  1
  H  H151  1  0.104511  0.954602  0.517501  1
  H  H152  1  0.329905  0.860638  0.546956  1
  H  H153  1  0.474573  0.691938  0.566889  1
  H  H154  1  0.671006  0.202074  0.561305  1
  H  H155  1  0.723800  0.973135  0.531497  1
  H  H156  1  0.886019  0.908686  0.535235  1
  H  H157  1  0.050768  0.777866  0.536018  1
  H  H158  1  0.377177  0.478367  0.544447  1
  H  H159  1  0.681392  0.794555  0.548705  1
  H  H160  1  0.845626  0.721032  0.552255  1
  H  H161  1  0.926385  0.492181  0.526831  1
  H  H162  1  0.558591  0.437968  0.544189  1
  H  H163  1  0.320592  0.668191  0.575855  1
  H  H164  1  0.193052  0.555743  0.544918  1
  H  H165  1  0.249484  0.508262  0.591708  1
  H  H166  1  0.452520  0.098768  0.566896  1
  H  H167  1  0.813119  0.526003  0.572672  1
  H  H168  1  -0.016070  0.403934  0.579821  1
  H  H169  1  0.085040  0.294184  0.540245  1
  H  H170  1  0.251502  0.143329  0.564946  1
  H  H171  1  0.395129  0.942939  0.583297  1
  H  H172  1  0.478762  0.495808  0.588511  1
  H  H173  1  0.832734  0.127321  0.564894  1
  H  H174  1  -0.008298  0.980651  0.567271  1
  H  H175  1  0.077802  0.099462  0.559768  1
  H  H176  1  0.160113  0.825364  0.563264  1
  H  H177  1  0.613915  0.028415  0.574688  1
  H  H178  1  0.774724  0.951558  0.579251  1
  H  H179  1  0.013036  0.596860  0.557768  1
  H  H180  1  0.643556  0.617458  0.569555  1
  H  H181  1  0.364703  0.783776  0.613896  1
  H  H182  1  0.098941  0.698303  0.588853  1
  H  H183  1  0.222134  0.722799  0.617309  1
  H  H184  1  0.410072  0.349549  0.595332  1
  H  H185  1  0.726490  0.767710  0.596882  1
  H  H186  1  0.888627  0.649524  0.601242  1
  H  H187  1  0.156206  0.392437  0.573465  1
  H  H188  1  0.188062  0.335482  0.624408  1
  H  H189  1  0.328829  0.215009  0.599628  1
  H  H190  1  0.540020  0.661966  0.613197  1
  H  H191  1  0.642111  0.411121  0.592819  1
  H  H192  1  0.806624  0.318910  0.596816  1
  H  H193  1  -0.026682  0.195141  0.600757  1
  H  H194  1  0.228310  0.943485  0.585504  1
  H  H195  1  0.570624  0.249265  0.606174  1
  H  H196  1  0.733934  0.154254  0.610700  1
  H  H197  1  0.935963  0.821758  0.583357  1
  H  H198  1  0.562493  0.859485  0.592405  1
  H  H199  1  0.283076  0.063713  0.619338  1
  H  H200  1  0.068961  0.933613  0.612394  1
  H  H201  1  0.193020  0.959282  0.634087  1
  H  H202  1  0.380536  0.553190  0.628454  1
  H  H203  1  0.658699  0.994881  0.622668  1
  H  H204  1  0.826087  0.878619  0.626823  1
  H  H205  1  0.048676  0.539231  0.609177  1
  H  H206  1  0.147689  0.582895  0.640779  1
  H  H207  1  0.308117  0.393271  0.634298  1
  H  H208  1  0.452877  0.915357  0.631334  1
  H  H209  1  0.708139  0.565732  0.617475  1
  H  H210  1  0.874738  0.452895  0.622720  1
  H  H211  1  0.034674  0.348708  0.631401  1
  H  H212  1  0.129261  0.187642  0.598900  1
  H  H213  1  0.546127  0.451860  0.638147  1
  H  H214  1  0.712790  0.348343  0.642260  1
  H  H215  1  0.898537  0.039228  0.613123  1
  H  H216  1  0.490508  0.104785  0.615307  1
  H  H217  1  0.367603  0.150311  0.650909  1
  H  H218  1  0.045109  0.127405  0.649239  1
  H  H219  1  0.177478  0.184914  0.659953  1
  H  H220  1  0.300233  0.762271  0.661739  1
  H  H221  1  0.626938  0.197401  0.655195  1
  H  H222  1  0.796700  0.081918  0.658260  1
  H  H223  1  -0.005834  0.779260  0.631110  1
  H  H224  1  0.131738  0.806252  0.660700  1
  H  H225  1  0.277572  0.563970  0.667862  1
  H  H226  1  0.537806  0.054561  0.662863  1
  H  H227  1  0.613149  0.813417  0.641278  1
  H  H228  1  0.777773  0.701824  0.645531  1
  H  H229  1  0.943139  0.600874  0.650896  1
  H  H230  1  0.255695  0.338358  0.677184  1
  H  H231  1  0.458006  0.713011  0.657959  1
  H  H232  1  0.621147  0.597243  0.661537  1
  H  H233  1  0.879782  0.236625  0.645913  1
  H  H234  1  0.456279  0.308628  0.651940  1
  H  H235  1  0.411043  0.153152  0.699466  1
  H  H236  1  -0.047764  0.377747  0.672572  1
  H  H237  1  0.084219  0.236799  0.703088  1
  H  H238  1  0.327066  0.963439  0.664258  1
  H  H239  1  0.617257  0.393369  0.686980  1
  H  H240  1  0.796459  0.263455  0.691018  1
  H  H241  1  -0.033042  0.975453  0.661095  1
  H  H242  1  0.168700  0.981576  0.684047  1
  H  H243  1  0.248451  0.726487  0.708437  1
  H  H244  1  0.522290  0.268110  0.699473  1
  H  H245  1  0.703027  0.935817  0.670190  1
  H  H246  1  0.865020  0.828703  0.675191  1
  H  H247  1  0.023828  0.714243  0.680727  1
  H  H248  1  0.093219  0.444254  0.669628  1
  H  H249  1  0.486842  0.892243  0.684474  1
  H  H250  1  0.662428  0.755651  0.690759  1
  H  H251  1  0.785865  0.481971  0.666100  1
  H  H252  1  0.438955  0.521732  0.678852  1
  H  H253  1  0.346782  0.416540  0.708103  1
  H  H254  1  -0.005140  0.531002  0.709829  1
  H  H255  1  0.171696  0.360055  0.720512  1
  H  H256  1  0.270086  0.110094  0.704661  1
  H  H257  1  0.707089  0.515550  0.711108  1
  H  H258  1  0.885088  0.387449  0.717442  1
  H  H259  1  -0.026450  0.139933  0.695693  1
  H  H260  1  0.191268  0.981976  0.732510  1
  H  H261  1  0.359795  0.826945  0.706689  1
  H  H262  1  0.415666  0.572893  0.727611  1
  H  H263  1  0.702215  0.125875  0.702491  1
  H  H264  1  0.884690  0.993460  0.706667  1
  H  H265  1  0.069775  0.878265  0.708399  1
  H  H266  1  0.165700  0.580733  0.702395  1
  H  H267  1  0.589737  1.004035  0.711440  1
  H  H268  1  0.770816  0.863015  0.718220  1
  H  H269  1  0.835616  0.629015  0.693579  1
  H  H270  1  0.531099  0.648870  0.705777  1
