# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.53266080
_cell_length_b   10.32821147
_cell_length_c   54.77493465
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   73.26078324
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H360
_cell_volume   7331.38329579
_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  0.763409  0.259889  0.309066  1
  H  H2  1  0.430075  0.259889  0.309066  1
  H  H3  1  0.865886  0.523903  0.248615  1
  H  H4  1  1.096742  0.259889  0.309066  1
  H  H5  1  0.532552  0.523903  0.248615  1
  H  H6  1  0.816019  0.388500  0.278304  1
  H  H7  1  0.199219  0.523903  0.248615  1
  H  H8  1  0.482686  0.388500  0.278304  1
  H  H9  1  1.149352  0.388500  0.278304  1
  H  H10  1  0.896862  0.738434  0.256666  1
  H  H11  1  0.563529  0.738434  0.256666  1
  H  H12  1  0.846011  0.607132  0.286956  1
  H  H13  1  0.230196  0.738434  0.256666  1
  H  H14  1  0.512678  0.607132  0.286956  1
  H  H15  1  0.793711  0.474994  0.316544  1
  H  H16  1  0.179345  0.607132  0.286956  1
  H  H17  1  0.460377  0.474994  0.316544  1
  H  H18  1  1.127044  0.474994  0.316544  1
  H  H19  1  0.760121  0.952664  0.264326  1
  H  H20  1  0.426787  0.952664  0.264326  1
  H  H21  1  0.708325  0.824164  0.295203  1
  H  H22  1  1.093454  0.952664  0.264326  1
  H  H23  1  0.374991  0.824164  0.295203  1
  H  H24  1  0.655755  0.691779  0.324560  1
  H  H25  1  1.041658  0.824164  0.295203  1
  H  H26  1  0.322421  0.691779  0.324560  1
  H  H27  1  0.989088  0.691779  0.324560  1
  H  H28  1  0.736336  0.040948  0.302467  1
  H  H29  1  0.403002  0.040948  0.302467  1
  H  H30  1  0.683249  0.912100  0.333535  1
  H  H31  1  1.069669  0.040948  0.302467  1
  H  H32  1  0.349915  0.912100  0.333535  1
  H  H33  1  0.787584  0.171259  0.270970  1
  H  H34  1  1.016582  0.912100  0.333535  1
  H  H35  1  0.454250  0.171259  0.270970  1
  H  H36  1  1.120917  0.171259  0.270970  1
  H  H37  1  0.596742  0.259889  0.309066  1
  H  H38  1  0.263409  0.259889  0.309066  1
  H  H39  1  0.699219  0.523903  0.248615  1
  H  H40  1  0.930075  0.259889  0.309066  1
  H  H41  1  0.365886  0.523903  0.248615  1
  H  H42  1  0.649352  0.388500  0.278304  1
  H  H43  1  1.032552  0.523903  0.248615  1
  H  H44  1  0.316019  0.388500  0.278304  1
  H  H45  1  0.982686  0.388500  0.278304  1
  H  H46  1  0.627044  0.474994  0.316544  1
  H  H47  1  0.293711  0.474994  0.316544  1
  H  H48  1  0.730196  0.738434  0.256666  1
  H  H49  1  0.960377  0.474994  0.316544  1
  H  H50  1  0.396862  0.738434  0.256666  1
  H  H51  1  0.679345  0.607132  0.286956  1
  H  H52  1  1.063529  0.738434  0.256666  1
  H  H53  1  0.346011  0.607132  0.286956  1
  H  H54  1  1.012678  0.607132  0.286956  1
  H  H55  1  0.593454  0.952664  0.264326  1
  H  H56  1  0.260121  0.952664  0.264326  1
  H  H57  1  0.541658  0.824164  0.295203  1
  H  H58  1  0.926787  0.952664  0.264326  1
  H  H59  1  0.208325  0.824164  0.295203  1
  H  H60  1  0.489088  0.691779  0.324560  1
  H  H61  1  0.874991  0.824164  0.295203  1
  H  H62  1  0.155755  0.691779  0.324560  1
  H  H63  1  0.822421  0.691779  0.324560  1
  H  H64  1  0.620917  0.171259  0.270970  1
  H  H65  1  0.287584  0.171259  0.270970  1
  H  H66  1  0.569669  0.040948  0.302467  1
  H  H67  1  0.954250  0.171259  0.270970  1
  H  H68  1  0.236336  0.040948  0.302467  1
  H  H69  1  0.516582  0.912100  0.333535  1
  H  H70  1  0.903002  0.040948  0.302467  1
  H  H71  1  0.183249  0.912100  0.333535  1
  H  H72  1  0.849915  0.912100  0.333535  1
  H  H73  1  0.704863  0.834048  0.399468  1
  H  H74  1  0.371530  0.834048  0.399468  1
  H  H75  1  0.709154  0.134836  0.339790  1
  H  H76  1  1.038196  0.834048  0.399468  1
  H  H77  1  0.375820  0.134836  0.339790  1
  H  H78  1  0.742243  -0.019117  0.370185  1
  H  H79  1  1.042487  0.134836  0.339790  1
  H  H80  1  0.408909  -0.019117  0.370185  1
  H  H81  1  1.075576  -0.019117  0.370185  1
  H  H82  1  0.741212  0.347396  0.347295  1
  H  H83  1  0.407879  0.347396  0.347295  1
  H  H84  1  0.779092  0.185705  0.377364  1
  H  H85  1  1.074545  0.347396  0.347295  1
  H  H86  1  0.445758  0.185705  0.377364  1
  H  H87  1  0.730826  0.052245  0.408687  1
  H  H88  1  1.112425  0.185705  0.377364  1
  H  H89  1  0.397493  0.052245  0.408687  1
  H  H90  1  1.064159  0.052245  0.408687  1
  H  H91  1  0.607797  0.558025  0.354923  1
  H  H92  1  0.274464  0.558025  0.354923  1
  H  H93  1  0.646215  0.396157  0.384568  1
  H  H94  1  0.941131  0.558025  0.354923  1
  H  H95  1  0.312882  0.396157  0.384568  1
  H  H96  1  0.591891  0.270017  0.415445  1
  H  H97  1  0.979549  0.396157  0.384568  1
  H  H98  1  0.258558  0.270017  0.415445  1
  H  H99  1  0.925225  0.270017  0.415445  1
  H  H100  1  0.679385  0.609151  0.392319  1
  H  H101  1  0.346052  0.609151  0.392319  1
  H  H102  1  0.623559  0.484005  0.422772  1
  H  H103  1  1.012718  0.609151  0.392319  1
  H  H104  1  0.290225  0.484005  0.422772  1
  H  H105  1  0.645218  0.764747  0.362706  1
  H  H106  1  0.956892  0.484005  0.422772  1
  H  H107  1  0.311885  0.764747  0.362706  1
  H  H108  1  0.978552  0.764747  0.362706  1
  H  H109  1  0.538196  0.834048  0.399468  1
  H  H110  1  0.204863  0.834048  0.399468  1
  H  H111  1  0.542487  0.134836  0.339790  1
  H  H112  1  0.871530  0.834048  0.399468  1
  H  H113  1  0.209154  0.134836  0.339790  1
  H  H114  1  0.575576  -0.019117  0.370185  1
  H  H115  1  0.875820  0.134836  0.339790  1
  H  H116  1  0.242243  -0.019117  0.370185  1
  H  H117  1  0.908909  -0.019117  0.370185  1
  H  H118  1  0.564159  0.052245  0.408687  1
  H  H119  1  0.230826  0.052245  0.408687  1
  H  H120  1  0.574545  0.347396  0.347295  1
  H  H121  1  0.897493  0.052245  0.408687  1
  H  H122  1  0.241212  0.347396  0.347295  1
  H  H123  1  0.612425  0.185705  0.377364  1
  H  H124  1  0.907879  0.347396  0.347295  1
  H  H125  1  0.279092  0.185705  0.377364  1
  H  H126  1  0.945758  0.185705  0.377364  1
  H  H127  1  0.441131  0.558025  0.354923  1
  H  H128  1  1.107797  0.558025  0.354923  1
  H  H129  1  0.479549  0.396157  0.384568  1
  H  H130  1  0.774464  0.558025  0.354923  1
  H  H131  1  1.146215  0.396157  0.384568  1
  H  H132  1  0.425225  0.270017  0.415445  1
  H  H133  1  0.812882  0.396157  0.384568  1
  H  H134  1  1.091891  0.270017  0.415445  1
  H  H135  1  0.758558  0.270017  0.415445  1
  H  H136  1  0.478552  0.764747  0.362706  1
  H  H137  1  1.145218  0.764747  0.362706  1
  H  H138  1  0.512718  0.609151  0.392319  1
  H  H139  1  0.811885  0.764747  0.362706  1
  H  H140  1  0.179385  0.609151  0.392319  1
  H  H141  1  0.456892  0.484005  0.422772  1
  H  H142  1  0.846052  0.609151  0.392319  1
  H  H143  1  1.123559  0.484005  0.422772  1
  H  H144  1  0.790225  0.484005  0.422772  1
  H  H145  1  0.640125  0.406608  0.490593  1
  H  H146  1  0.306791  0.406608  0.490593  1
  H  H147  1  0.650915  0.702593  0.429656  1
  H  H148  1  0.973458  0.406608  0.490593  1
  H  H149  1  0.317582  0.702593  0.429656  1
  H  H150  1  0.602920  0.568948  0.460723  1
  H  H151  1  0.984249  0.702593  0.429656  1
  H  H152  1  0.269587  0.568948  0.460723  1
  H  H153  1  0.936253  0.568948  0.460723  1
  H  H154  1  0.676941  0.920924  0.438966  1
  H  H155  1  0.343608  0.920924  0.438966  1
  H  H156  1  0.640516  0.774399  0.468219  1
  H  H157  1  1.010274  0.920924  0.438966  1
  H  H158  1  0.307183  0.774399  0.468219  1
  H  H159  1  0.673434  0.619333  0.498127  1
  H  H160  1  0.973849  0.774399  0.468219  1
  H  H161  1  0.340101  0.619333  0.498127  1
  H  H162  1  1.006767  0.619333  0.498127  1
  H  H163  1  0.535835  0.144849  0.446064  1
  H  H164  1  0.202502  0.144849  0.446064  1
  H  H165  1  0.568753  -0.010217  0.475972  1
  H  H166  1  0.869168  0.144849  0.446064  1
  H  H167  1  0.235420  -0.010217  0.475972  1
  H  H168  1  0.532328  0.843258  0.505225  1
  H  H169  1  0.902086  -0.010217  0.475972  1
  H  H170  1  0.198995  0.843258  0.505225  1
  H  H171  1  0.865662  0.843258  0.505225  1
  H  H172  1  0.606349  0.195234  0.483468  1
  H  H173  1  0.273016  0.195234  0.483468  1
  H  H174  1  0.558354  0.061589  0.514535  1
  H  H175  1  0.939682  0.195234  0.483468  1
  H  H176  1  0.225020  0.061589  0.514535  1
  H  H177  1  0.569145  0.357574  0.453599  1
  H  H178  1  0.891687  0.061589  0.514535  1
  H  H179  1  0.235811  0.357574  0.453599  1
  H  H180  1  0.902478  0.357574  0.453599  1
  H  H181  1  0.473458  0.406608  0.490593  1
  H  H182  1  1.140125  0.406608  0.490593  1
  H  H183  1  0.484249  0.702593  0.429656  1
  H  H184  1  0.806791  0.406608  0.490593  1
  H  H185  1  1.150915  0.702593  0.429656  1
  H  H186  1  0.436253  0.568948  0.460723  1
  H  H187  1  0.817582  0.702593  0.429656  1
  H  H188  1  1.102920  0.568948  0.460723  1
  H  H189  1  0.769587  0.568948  0.460723  1
  H  H190  1  0.506767  0.619333  0.498127  1
  H  H191  1  0.173434  0.619333  0.498127  1
  H  H192  1  0.510274  0.920924  0.438966  1
  H  H193  1  0.840101  0.619333  0.498127  1
  H  H194  1  0.176941  0.920924  0.438966  1
  H  H195  1  0.473849  0.774399  0.468219  1
  H  H196  1  0.843608  0.920924  0.438966  1
  H  H197  1  1.140516  0.774399  0.468219  1
  H  H198  1  0.807183  0.774399  0.468219  1
  H  H199  1  0.369168  0.144849  0.446064  1
  H  H200  1  1.035835  0.144849  0.446064  1
  H  H201  1  0.402086  -0.010217  0.475972  1
  H  H202  1  0.702502  0.144849  0.446064  1
  H  H203  1  1.068753  -0.010217  0.475972  1
  H  H204  1  0.365662  0.843258  0.505225  1
  H  H205  1  0.735420  -0.010217  0.475972  1
  H  H206  1  1.032328  0.843258  0.505225  1
  H  H207  1  0.698995  0.843258  0.505225  1
  H  H208  1  0.402478  0.357574  0.453599  1
  H  H209  1  1.069145  0.357574  0.453599  1
  H  H210  1  0.439682  0.195234  0.483468  1
  H  H211  1  0.735811  0.357574  0.453599  1
  H  H212  1  1.106349  0.195234  0.483468  1
  H  H213  1  0.391687  0.061589  0.514535  1
  H  H214  1  0.773016  0.195234  0.483468  1
  H  H215  1  1.058354  0.061589  0.514535  1
  H  H216  1  0.725020  0.061589  0.514535  1
  H  H217  1  0.564051  -0.000565  0.581485  1
  H  H218  1  0.230717  -0.000565  0.581485  1
  H  H219  1  0.585711  0.280176  0.521419  1
  H  H220  1  0.897384  -0.000565  0.581485  1
  H  H221  1  0.252377  0.280176  0.521419  1
  H  H222  1  0.529884  0.155031  0.551872  1
  H  H223  1  0.919044  0.280176  0.521419  1
  H  H224  1  0.196551  0.155031  0.551872  1
  H  H225  1  0.863218  0.155031  0.551872  1
  H  H226  1  0.617378  0.494165  0.528746  1
  H  H227  1  0.284045  0.494165  0.528746  1
  H  H228  1  0.563054  0.368025  0.559623  1
  H  H229  1  0.950711  0.494165  0.528746  1
  H  H230  1  0.229721  0.368025  0.559623  1
  H  H231  1  0.601472  0.206157  0.589268  1
  H  H232  1  0.896387  0.368025  0.559623  1
  H  H233  1  0.268139  0.206157  0.589268  1
  H  H234  1  0.934805  0.206157  0.589268  1
  H  H235  1  0.478443  0.711937  0.535504  1
  H  H236  1  1.145110  0.711937  0.535504  1
  H  H237  1  0.430177  0.578477  0.566827  1
  H  H238  1  0.811777  0.711937  0.535504  1
  H  H239  1  1.096844  0.578477  0.566827  1
  H  H240  1  0.468057  0.416786  0.596896  1
  H  H241  1  0.763511  0.578477  0.566827  1
  H  H242  1  1.134724  0.416786  0.596896  1
  H  H243  1  0.801390  0.416786  0.596896  1
  H  H244  1  0.467026  0.783299  0.574006  1
  H  H245  1  1.133693  0.783299  0.574006  1
  H  H246  1  0.500115  0.629346  0.604401  1
  H  H247  1  0.800360  0.783299  0.574006  1
  H  H248  1  0.166782  0.629346  0.604401  1
  H  H249  1  0.504406  0.930134  0.544724  1
  H  H250  1  0.833449  0.629346  0.604401  1
  H  H251  1  0.171073  0.930134  0.544724  1
  H  H252  1  0.837740  0.930134  0.544724  1
  H  H253  1  0.397384  -0.000565  0.581485  1
  H  H254  1  1.064051  -0.000565  0.581485  1
  H  H255  1  0.419044  0.280176  0.521419  1
  H  H256  1  0.730717  -0.000565  0.581485  1
  H  H257  1  1.085711  0.280176  0.521419  1
  H  H258  1  0.363218  0.155031  0.551872  1
  H  H259  1  0.752377  0.280176  0.521419  1
  H  H260  1  1.029884  0.155031  0.551872  1
  H  H261  1  0.696551  0.155031  0.551872  1
  H  H262  1  0.434805  0.206157  0.589268  1
  H  H263  1  1.101472  0.206157  0.589268  1
  H  H264  1  0.450711  0.494165  0.528746  1
  H  H265  1  0.768139  0.206157  0.589268  1
  H  H266  1  1.117378  0.494165  0.528746  1
  H  H267  1  0.396387  0.368025  0.559623  1
  H  H268  1  0.784045  0.494165  0.528746  1
  H  H269  1  1.063054  0.368025  0.559623  1
  H  H270  1  0.729721  0.368025  0.559623  1
  H  H271  1  0.311777  0.711937  0.535504  1
  H  H272  1  0.978443  0.711937  0.535504  1
  H  H273  1  0.263511  0.578477  0.566827  1
  H  H274  1  0.645110  0.711937  0.535504  1
  H  H275  1  0.930177  0.578477  0.566827  1
  H  H276  1  0.301390  0.416786  0.596896  1
  H  H277  1  0.596844  0.578477  0.566827  1
  H  H278  1  0.968057  0.416786  0.596896  1
  H  H279  1  0.634724  0.416786  0.596896  1
  H  H280  1  0.337740  0.930134  0.544724  1
  H  H281  1  1.004406  0.930134  0.544724  1
  H  H282  1  0.300360  0.783299  0.574006  1
  H  H283  1  0.671073  0.930134  0.544724  1
  H  H284  1  0.967026  0.783299  0.574006  1
  H  H285  1  0.333449  0.629346  0.604401  1
  H  H286  1  0.633693  0.783299  0.574006  1
  H  H287  1  1.000115  0.629346  0.604401  1
  H  H288  1  0.666782  0.629346  0.604401  1
  H  H289  1  0.421685  0.592923  0.673221  1
  H  H290  1  1.088352  0.592923  0.673221  1
  H  H291  1  0.526020  0.852082  0.610656  1
  H  H292  1  0.755019  0.592923  0.673221  1
  H  H293  1  0.192687  0.852082  0.610656  1
  H  H294  1  0.472933  0.723234  0.641724  1
  H  H295  1  0.859354  0.852082  0.610656  1
  H  H296  1  1.139600  0.723234  0.641724  1
  H  H297  1  0.806267  0.723234  0.641724  1
  H  H298  1  0.553514  0.072403  0.619631  1
  H  H299  1  0.220181  0.072403  0.619631  1
  H  H300  1  0.500944  0.940017  0.648988  1
  H  H301  1  0.886848  0.072403  0.619631  1
  H  H302  1  0.167611  0.940017  0.648988  1
  H  H303  1  0.449148  0.811518  0.679865  1
  H  H304  1  0.834278  0.940017  0.648988  1
  H  H305  1  1.115815  0.811518  0.679865  1
  H  H306  1  0.782482  0.811518  0.679865  1
  H  H307  1  0.415559  0.289188  0.627647  1
  H  H308  1  1.082225  0.289188  0.627647  1
  H  H309  1  0.363258  0.157050  0.657235  1
  H  H310  1  0.748892  0.289188  0.627647  1
  H  H311  1  1.029925  0.157050  0.657235  1
  H  H312  1  0.312407  0.025748  0.687525  1
  H  H313  1  0.696591  0.157050  0.657235  1
  H  H314  1  0.979073  0.025748  0.687525  1
  H  H315  1  0.645740  0.025748  0.687525  1
  H  H316  1  0.393250  0.375682  0.665887  1
  H  H317  1  1.059917  0.375682  0.665887  1
  H  H318  1  0.343383  0.240279  0.695577  1
  H  H319  1  0.726583  0.375682  0.665887  1
  H  H320  1  1.010050  0.240279  0.695577  1
  H  H321  1  0.445860  0.504293  0.635125  1
  H  H322  1  0.676717  0.240279  0.695577  1
  H  H323  1  1.112527  0.504293  0.635125  1
  H  H324  1  0.779194  0.504293  0.635125  1
  H  H325  1  0.255019  0.592923  0.673221  1
  H  H326  1  0.921685  0.592923  0.673221  1
  H  H327  1  0.359354  0.852082  0.610656  1
  H  H328  1  0.588352  0.592923  0.673221  1
  H  H329  1  1.026020  0.852082  0.610656  1
  H  H330  1  0.306267  0.723234  0.641724  1
  H  H331  1  0.692687  0.852082  0.610656  1
  H  H332  1  0.972933  0.723234  0.641724  1
  H  H333  1  0.639600  0.723234  0.641724  1
  H  H334  1  0.282482  0.811518  0.679865  1
  H  H335  1  0.949148  0.811518  0.679865  1
  H  H336  1  0.386848  0.072403  0.619631  1
  H  H337  1  0.615815  0.811518  0.679865  1
  H  H338  1  1.053514  0.072403  0.619631  1
  H  H339  1  0.334278  0.940017  0.648988  1
  H  H340  1  0.720181  0.072403  0.619631  1
  H  H341  1  1.000944  0.940017  0.648988  1
  H  H342  1  0.667611  0.940017  0.648988  1
  H  H343  1  0.248892  0.289188  0.627647  1
  H  H344  1  0.915559  0.289188  0.627647  1
  H  H345  1  0.196591  0.157050  0.657235  1
  H  H346  1  0.582225  0.289188  0.627647  1
  H  H347  1  0.863258  0.157050  0.657235  1
  H  H348  1  1.145740  0.025748  0.687525  1
  H  H349  1  0.529925  0.157050  0.657235  1
  H  H350  1  0.812407  0.025748  0.687525  1
  H  H351  1  0.479073  0.025748  0.687525  1
  H  H352  1  0.279194  0.504293  0.635125  1
  H  H353  1  0.945860  0.504293  0.635125  1
  H  H354  1  0.226583  0.375682  0.665887  1
  H  H355  1  0.612527  0.504293  0.635125  1
  H  H356  1  0.893250  0.375682  0.665887  1
  H  H357  1  0.176717  0.240279  0.695577  1
  H  H358  1  0.559917  0.375682  0.665887  1
  H  H359  1  0.843383  0.240279  0.695577  1
  H  H360  1  0.510050  0.240279  0.695577  1
