# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.11858978
_cell_length_b   23.97875185
_cell_length_c   33.82672901
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.82004637
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H360
_cell_volume   7308.83282225
_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  0.517716  0.546117  0.492013  1
  H  H2  1  0.184382  0.212784  0.492013  1
  H  H3  1  0.268928  0.528367  0.515558  1
  H  H4  1  0.051387  0.508524  0.551890  1
  H  H5  1  0.851049  0.879451  0.492013  1
  H  H6  1  0.935595  0.195034  0.515558  1
  H  H7  1  0.718053  0.175190  0.551890  1
  H  H8  1  0.602261  0.861700  0.515558  1
  H  H9  1  0.384720  0.841857  0.551890  1
  H  H10  1  0.403914  0.624222  0.495965  1
  H  H11  1  0.070581  0.290889  0.495965  1
  H  H12  1  0.178549  0.605717  0.532293  1
  H  H13  1  0.654501  0.632971  0.469240  1
  H  H14  1  0.737248  -0.042445  0.495965  1
  H  H15  1  0.845215  0.272384  0.532293  1
  H  H16  1  0.321168  0.299637  0.469240  1
  H  H17  1  0.511882  0.939050  0.532293  1
  H  H18  1  -0.012165  -0.033696  0.469240  1
  H  H19  1  0.553948  0.719156  0.475460  1
  H  H20  1  0.220615  0.385822  0.475460  1
  H  H21  1  0.305183  0.704166  0.504180  1
  H  H22  1  0.077423  0.683765  0.536127  1
  H  H23  1  0.887281  0.052489  0.475460  1
  H  H24  1  -0.028150  0.370833  0.504180  1
  H  H25  1  0.744090  0.350431  0.536127  1
  H  H26  1  0.638517  0.037500  0.504180  1
  H  H27  1  0.410756  0.017098  0.536127  1
  H  H28  1  0.424175  0.794803  0.480965  1
  H  H29  1  0.090841  0.461470  0.480965  1
  H  H30  1  0.206773  0.782489  0.517270  1
  H  H31  1  0.671827  0.817140  0.456381  1
  H  H32  1  0.757508  0.128137  0.480965  1
  H  H33  1  0.873439  0.449156  0.517270  1
  H  H34  1  0.338493  0.483807  0.456381  1
  H  H35  1  0.540106  0.115822  0.517270  1
  H  H36  1  0.005160  0.150473  0.456381  1
  H  H37  1  0.551387  0.508524  0.551890  1
  H  H38  1  0.218053  0.175190  0.551890  1
  H  H39  1  0.017716  0.546117  0.492013  1
  H  H40  1  0.768928  0.528367  0.515558  1
  H  H41  1  0.884720  0.841857  0.551890  1
  H  H42  1  0.684382  0.212784  0.492013  1
  H  H43  1  0.435594  0.195034  0.515558  1
  H  H44  1  0.351049  0.879451  0.492013  1
  H  H45  1  0.102261  0.861700  0.515558  1
  H  H46  1  0.678549  0.605717  0.532293  1
  H  H47  1  0.345215  0.272384  0.532293  1
  H  H48  1  0.154501  0.632971  0.469240  1
  H  H49  1  0.903914  0.624222  0.495965  1
  H  H50  1  0.011882  0.939050  0.532293  1
  H  H51  1  0.821168  0.299637  0.469240  1
  H  H52  1  0.570581  0.290889  0.495965  1
  H  H53  1  0.487835  -0.033696  0.469240  1
  H  H54  1  0.237248  -0.042445  0.495965  1
  H  H55  1  0.577423  0.683765  0.536127  1
  H  H56  1  0.244090  0.350431  0.536127  1
  H  H57  1  0.053948  0.719156  0.475460  1
  H  H58  1  0.805183  0.704166  0.504180  1
  H  H59  1  0.910756  0.017098  0.536127  1
  H  H60  1  0.720615  0.385822  0.475460  1
  H  H61  1  0.471850  0.370833  0.504180  1
  H  H62  1  0.387281  0.052489  0.475460  1
  H  H63  1  0.138517  0.037500  0.504180  1
  H  H64  1  0.706773  0.782489  0.517270  1
  H  H65  1  0.373439  0.449156  0.517270  1
  H  H66  1  0.171827  0.817140  0.456381  1
  H  H67  1  0.924175  0.794803  0.480965  1
  H  H68  1  0.040106  0.115822  0.517270  1
  H  H69  1  0.838493  0.483807  0.456381  1
  H  H70  1  0.590841  0.461470  0.480965  1
  H  H71  1  0.505160  0.150473  0.456381  1
  H  H72  1  0.257508  0.128137  0.480965  1
  H  H73  1  0.814195  0.489092  0.578060  1
  H  H74  1  0.480862  0.155759  0.578060  1
  H  H75  1  0.590302  0.469011  0.610632  1
  H  H76  1  0.357681  0.449558  0.638596  1
  H  H77  1  0.147528  0.822425  0.578060  1
  H  H78  1  0.256969  0.135678  0.610632  1
  H  H79  1  0.024347  0.116225  0.638596  1
  H  H80  1  0.923635  0.802345  0.610632  1
  H  H81  1  0.691014  0.782891  0.638596  1
  H  H82  1  0.719497  0.566406  0.589933  1
  H  H83  1  0.386164  0.233073  0.589933  1
  H  H84  1  0.485395  0.546845  0.616575  1
  H  H85  1  0.940530  0.585472  0.556621  1
  H  H86  1  0.052831  0.899739  0.589933  1
  H  H87  1  0.152061  0.213512  0.616575  1
  H  H88  1  0.607197  0.252139  0.556621  1
  H  H89  1  0.818728  0.880179  0.616575  1
  H  H90  1  0.273863  0.918806  0.556621  1
  H  H91  1  0.849717  0.665793  0.565254  1
  H  H92  1  0.516383  0.332459  0.565254  1
  H  H93  1  0.617646  0.644860  0.595089  1
  H  H94  1  0.390870  0.626027  0.625138  1
  H  H95  1  0.183050  -0.000874  0.565254  1
  H  H96  1  0.284313  0.311527  0.595089  1
  H  H97  1  0.057537  0.292694  0.625138  1
  H  H98  1  0.950980  -0.021806  0.595089  1
  H  H99  1  0.724204  -0.040639  0.625138  1
  H  H100  1  0.748914  0.742928  0.574481  1
  H  H101  1  0.415581  0.409595  0.574481  1
  H  H102  1  0.518863  0.723458  0.602639  1
  H  H103  1  -0.026334  0.761915  0.542599  1
  H  H104  1  0.082248  0.076262  0.574481  1
  H  H105  1  0.185530  0.390124  0.602639  1
  H  H106  1  0.640332  0.428581  0.542599  1
  H  H107  1  0.852197  0.056791  0.602639  1
  H  H108  1  0.306999  0.095248  0.542599  1
  H  H109  1  0.857681  0.449558  0.638596  1
  H  H110  1  0.524347  0.116225  0.638596  1
  H  H111  1  0.314195  0.489092  0.578060  1
  H  H112  1  0.090302  0.469011  0.610632  1
  H  H113  1  0.191014  0.782891  0.638596  1
  H  H114  1  -0.019138  0.155759  0.578060  1
  H  H115  1  0.756969  0.135678  0.610632  1
  H  H116  1  0.647528  0.822425  0.578060  1
  H  H117  1  0.423635  0.802345  0.610632  1
  H  H118  1  -0.014605  0.546845  0.616575  1
  H  H119  1  0.652061  0.213512  0.616575  1
  H  H120  1  0.440530  0.585472  0.556621  1
  H  H121  1  0.219498  0.566406  0.589933  1
  H  H122  1  0.318728  0.880179  0.616575  1
  H  H123  1  0.107197  0.252139  0.556621  1
  H  H124  1  0.886164  0.233073  0.589933  1
  H  H125  1  0.773863  0.918806  0.556621  1
  H  H126  1  0.552831  0.899739  0.589933  1
  H  H127  1  0.890870  0.626027  0.625138  1
  H  H128  1  0.557537  0.292694  0.625138  1
  H  H129  1  0.349717  0.665793  0.565254  1
  H  H130  1  0.117646  0.644860  0.595089  1
  H  H131  1  0.224204  -0.040639  0.625138  1
  H  H132  1  0.016383  0.332459  0.565254  1
  H  H133  1  0.784313  0.311527  0.595089  1
  H  H134  1  0.683050  -0.000874  0.565254  1
  H  H135  1  0.450980  -0.021806  0.595089  1
  H  H136  1  0.018863  0.723458  0.602639  1
  H  H137  1  0.685530  0.390124  0.602639  1
  H  H138  1  0.473666  0.761915  0.542599  1
  H  H139  1  0.248914  0.742928  0.574481  1
  H  H140  1  0.352197  0.056791  0.602639  1
  H  H141  1  0.140332  0.428581  0.542599  1
  H  H142  1  0.915581  0.409595  0.574481  1
  H  H143  1  0.806999  0.095248  0.542599  1
  H  H144  1  0.582248  0.076262  0.574481  1
  H  H145  1  0.130546  0.430016  0.669709  1
  H  H146  1  0.797213  0.096682  0.669709  1
  H  H147  1  0.899819  0.410497  0.698828  1
  H  H148  1  0.670759  0.391047  0.728661  1
  H  H149  1  0.463879  0.763349  0.669709  1
  H  H150  1  0.566486  0.077163  0.698828  1
  H  H151  1  0.337426  0.057714  0.728661  1
  H  H152  1  0.233152  0.743830  0.698828  1
  H  H153  1  0.004092  0.724380  0.728661  1
  H  H154  1  0.028018  0.507912  0.676481  1
  H  H155  1  0.694685  0.174578  0.676481  1
  H  H156  1  0.801901  0.488923  0.707528  1
  H  H157  1  0.260774  0.527573  0.648543  1
  H  H158  1  0.361352  0.841245  0.676481  1
  H  H159  1  0.468568  0.155590  0.707528  1
  H  H160  1  0.927441  0.194239  0.648543  1
  H  H161  1  0.135235  0.822256  0.707528  1
  H  H162  1  0.594107  0.860906  0.648543  1
  H  H163  1  0.159077  0.605955  0.654007  1
  H  H164  1  0.825744  0.272621  0.654007  1
  H  H165  1  0.932960  0.586966  0.685054  1
  H  H166  1  0.700204  0.567305  0.712992  1
  H  H167  1  0.492410  0.939288  0.654007  1
  H  H168  1  0.599627  0.253633  0.685054  1
  H  H169  1  0.366871  0.233972  0.712992  1
  H  H170  1  0.266293  0.920299  0.685054  1
  H  H171  1  0.033538  0.900638  0.712992  1
  H  H172  1  0.061159  0.684381  0.662707  1
  H  H173  1  0.727826  0.351047  0.662707  1
  H  H174  1  0.830432  0.664862  0.691826  1
  H  H175  1  0.290219  0.703831  0.632874  1
  H  H176  1  0.394493  0.017714  0.662707  1
  H  H177  1  0.497099  0.331528  0.691826  1
  H  H178  1  0.956886  0.370497  0.632874  1
  H  H179  1  0.163766  -0.001805  0.691826  1
  H  H180  1  0.623553  0.037164  0.632874  1
  H  H181  1  0.170759  0.391047  0.728661  1
  H  H182  1  0.837426  0.057714  0.728661  1
  H  H183  1  0.630546  0.430016  0.669709  1
  H  H184  1  0.399819  0.410497  0.698828  1
  H  H185  1  0.504092  0.724380  0.728661  1
  H  H186  1  0.297213  0.096682  0.669709  1
  H  H187  1  0.066485  0.077163  0.698828  1
  H  H188  1  -0.036121  0.763349  0.669709  1
  H  H189  1  0.733152  0.743830  0.698828  1
  H  H190  1  0.301901  0.488923  0.707528  1
  H  H191  1  -0.031432  0.155590  0.707528  1
  H  H192  1  0.760774  0.527573  0.648543  1
  H  H193  1  0.528018  0.507912  0.676481  1
  H  H194  1  0.635235  0.822256  0.707528  1
  H  H195  1  0.427441  0.194239  0.648543  1
  H  H196  1  0.194685  0.174578  0.676481  1
  H  H197  1  0.094107  0.860906  0.648543  1
  H  H198  1  0.861352  0.841245  0.676481  1
  H  H199  1  0.200204  0.567305  0.712992  1
  H  H200  1  0.866871  0.233972  0.712992  1
  H  H201  1  0.659077  0.605955  0.654007  1
  H  H202  1  0.432960  0.586966  0.685054  1
  H  H203  1  0.533538  0.900638  0.712992  1
  H  H204  1  0.325744  0.272621  0.654007  1
  H  H205  1  0.099627  0.253633  0.685054  1
  H  H206  1  -0.007590  0.939288  0.654007  1
  H  H207  1  0.766293  0.920299  0.685054  1
  H  H208  1  0.330432  0.664862  0.691826  1
  H  H209  1  -0.002901  0.331528  0.691826  1
  H  H210  1  0.790219  0.703831  0.632874  1
  H  H211  1  0.561159  0.684381  0.662707  1
  H  H212  1  0.663766  -0.001805  0.691826  1
  H  H213  1  0.456886  0.370497  0.632874  1
  H  H214  1  0.227826  0.351047  0.662707  1
  H  H215  1  0.123553  0.037164  0.632874  1
  H  H216  1  0.894493  0.017714  0.662707  1
  H  H217  1  0.442115  0.371420  0.758896  1
  H  H218  1  0.108782  0.038086  0.758896  1
  H  H219  1  0.212064  0.351949  0.787054  1
  H  H220  1  -0.012687  0.332963  0.818936  1
  H  H221  1  0.775448  0.704753  0.758896  1
  H  H222  1  0.878731  0.018616  0.787054  1
  H  H223  1  0.653979  -0.000371  0.818936  1
  H  H224  1  0.545397  0.685282  0.787054  1
  H  H225  1  0.320646  0.666296  0.818936  1
  H  H226  1  0.343332  0.450017  0.766446  1
  H  H227  1  0.009999  0.116684  0.766446  1
  H  H228  1  0.111262  0.429085  0.796281  1
  H  H229  1  0.570108  0.468850  0.736397  1
  H  H230  1  0.676665  0.783350  0.766446  1
  H  H231  1  0.777928  0.095751  0.796281  1
  H  H232  1  0.236775  0.135517  0.736397  1
  H  H233  1  0.444595  0.762418  0.796281  1
  H  H234  1  0.903441  0.802184  0.736397  1
  H  H235  1  0.475584  0.548032  0.744960  1
  H  H236  1  0.142250  0.214699  0.744960  1
  H  H237  1  0.241481  0.528471  0.771602  1
  H  H238  1  0.020448  0.509405  0.804915  1
  H  H239  1  0.808917  0.881366  0.744960  1
  H  H240  1  0.908147  0.195138  0.771602  1
  H  H241  1  0.687115  0.176072  0.804915  1
  H  H242  1  0.574814  0.861805  0.771602  1
  H  H243  1  0.353782  0.842738  0.804915  1
  H  H244  1  0.370676  0.625866  0.750904  1
  H  H245  1  0.037343  0.292533  0.750904  1
  H  H246  1  0.146783  0.605785  0.783475  1
  H  H247  1  0.603298  0.645319  0.722939  1
  H  H248  1  0.704010  -0.040801  0.750904  1
  H  H249  1  0.813450  0.272452  0.783475  1
  H  H250  1  0.269964  0.311986  0.722939  1
  H  H251  1  0.480117  0.939119  0.783475  1
  H  H252  1  0.936631  -0.021347  0.722939  1
  H  H253  1  0.487313  0.332963  0.818936  1
  H  H254  1  0.153979  -0.000371  0.818936  1
  H  H255  1  0.942115  0.371420  0.758896  1
  H  H256  1  0.712064  0.351949  0.787054  1
  H  H257  1  0.820646  0.666296  0.818936  1
  H  H258  1  0.608782  0.038086  0.758896  1
  H  H259  1  0.378731  0.018616  0.787054  1
  H  H260  1  0.275448  0.704753  0.758896  1
  H  H261  1  0.045397  0.685282  0.787054  1
  H  H262  1  0.611262  0.429085  0.796281  1
  H  H263  1  0.277928  0.095751  0.796281  1
  H  H264  1  0.070108  0.468850  0.736397  1
  H  H265  1  0.843332  0.450017  0.766446  1
  H  H266  1  0.944595  0.762418  0.796281  1
  H  H267  1  0.736775  0.135517  0.736397  1
  H  H268  1  0.509999  0.116684  0.766446  1
  H  H269  1  0.403441  0.802184  0.736397  1
  H  H270  1  0.176665  0.783350  0.766446  1
  H  H271  1  0.520448  0.509405  0.804915  1
  H  H272  1  0.187115  0.176072  0.804915  1
  H  H273  1  -0.024416  0.548032  0.744960  1
  H  H274  1  0.741481  0.528471  0.771602  1
  H  H275  1  0.853782  0.842738  0.804915  1
  H  H276  1  0.642250  0.214699  0.744960  1
  H  H277  1  0.408147  0.195138  0.771602  1
  H  H278  1  0.308917  0.881366  0.744960  1
  H  H279  1  0.074814  0.861805  0.771602  1
  H  H280  1  0.646783  0.605785  0.783475  1
  H  H281  1  0.313450  0.272452  0.783475  1
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