# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.33522772
_cell_length_b   11.87515097
_cell_length_c   34.92784523
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.21011351
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   4261.62259879
_cell_formula_units_Z   108
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  0.669392  0.721747  0.454834  1
  H  H2  1  0.064383  0.715446  0.470097  1
  H  H3  1  -0.067132  0.568215  0.443060  1
  H  H4  1  0.002726  0.388414  0.454834  1
  H  H5  1  0.266201  0.734882  0.443060  1
  H  H6  1  0.336059  0.555081  0.454834  1
  H  H7  1  0.731050  0.548779  0.470097  1
  H  H8  1  0.599534  0.401549  0.443060  1
  H  H9  1  0.669392  0.221747  0.454834  1
  H  H10  1  0.064383  0.215446  0.470097  1
  H  H11  1  -0.067132  0.068215  0.443060  1
  H  H12  1  0.002726  0.888414  0.454834  1
  H  H13  1  0.397717  0.382112  0.470097  1
  H  H14  1  0.266201  0.234882  0.443060  1
  H  H15  1  0.336059  0.055081  0.454834  1
  H  H16  1  0.731050  0.048779  0.470097  1
  H  H17  1  0.599534  0.901549  0.443060  1
  H  H18  1  0.397717  0.882112  0.470097  1
  H  H19  1  0.861467  0.700809  0.493626  1
  H  H20  1  0.261306  0.690621  0.507748  1
  H  H21  1  0.131299  0.542537  0.480793  1
  H  H22  1  0.194800  0.367476  0.493626  1
  H  H23  1  0.464633  0.709203  0.480793  1
  H  H24  1  0.528133  0.534142  0.493626  1
  H  H25  1  -0.072028  0.523955  0.507748  1
  H  H26  1  0.797966  0.375870  0.480793  1
  H  H27  1  0.861467  0.200809  0.493626  1
  H  H28  1  0.261306  0.190621  0.507748  1
  H  H29  1  0.131299  0.042537  0.480793  1
  H  H30  1  0.194800  0.867476  0.493626  1
  H  H31  1  0.594639  0.357288  0.507748  1
  H  H32  1  0.464633  0.209203  0.480793  1
  H  H33  1  0.528133  0.034142  0.493626  1
  H  H34  1  -0.072028  0.023955  0.507748  1
  H  H35  1  0.797966  0.875870  0.480793  1
  H  H36  1  0.594639  0.857288  0.507748  1
  H  H37  1  0.057469  0.671769  0.533362  1
  H  H38  1  0.455737  0.662994  0.545246  1
  H  H39  1  0.325600  0.514539  0.520191  1
  H  H40  1  0.390802  0.338436  0.533362  1
  H  H41  1  0.658933  0.681205  0.520191  1
  H  H42  1  0.724135  0.505102  0.533362  1
  H  H43  1  0.122403  0.496328  0.545246  1
  H  H44  1  -0.007734  0.347872  0.520191  1
  H  H45  1  0.057469  0.171769  0.533362  1
  H  H46  1  0.455737  0.162994  0.545246  1
  H  H47  1  0.325600  1.014539  0.520191  1
  H  H48  1  0.390802  0.838436  0.533362  1
  H  H49  1  0.789070  0.329661  0.545246  1
  H  H50  1  0.658933  0.181205  0.520191  1
  H  H51  1  0.724135  1.005102  0.533362  1
  H  H52  1  0.122403  0.996328  0.545246  1
  H  H53  1  -0.007734  0.847872  0.520191  1
  H  H54  1  0.789070  0.829661  0.545246  1
  H  H55  1  0.252372  0.644054  0.571299  1
  H  H56  1  0.650781  0.634610  0.583964  1
  H  H57  1  0.520668  0.487108  0.557901  1
  H  H58  1  0.585706  0.310721  0.571299  1
  H  H59  1  0.854001  0.653774  0.557901  1
  H  H60  1  -0.080961  0.477387  0.571299  1
  H  H61  1  0.317448  0.467943  0.583964  1
  H  H62  1  0.187334  0.320441  0.557901  1
  H  H63  1  0.252372  0.144054  0.571299  1
  H  H64  1  0.650781  0.134610  0.583964  1
  H  H65  1  0.520668  0.987108  0.557901  1
  H  H66  1  0.585706  0.810721  0.571299  1
  H  H67  1  -0.015885  0.301276  0.583964  1
  H  H68  1  0.854001  0.153774  0.557901  1
  H  H69  1  -0.080961  0.977387  0.571299  1
  H  H70  1  0.317448  0.967943  0.583964  1
  H  H71  1  0.187334  0.820441  0.557901  1
  H  H72  1  -0.015885  0.801276  0.583964  1
  H  H73  1  0.447371  0.616472  0.609375  1
  H  H74  1  0.845464  0.607343  0.622177  1
  H  H75  1  0.715549  0.458692  0.596934  1
  H  H76  1  0.780704  0.283139  0.609375  1
  H  H77  1  0.048883  0.625358  0.596934  1
  H  H78  1  0.114037  0.449806  0.609375  1
  H  H79  1  0.512131  0.440676  0.622177  1
  H  H80  1  0.382216  0.292025  0.596934  1
  H  H81  1  0.447371  0.116472  0.609375  1
  H  H82  1  0.845464  0.107343  0.622177  1
  H  H83  1  0.715549  0.958692  0.596934  1
  H  H84  1  0.780704  0.783139  0.609375  1
  H  H85  1  0.178797  0.274010  0.622177  1
  H  H86  1  0.048883  0.125358  0.596934  1
  H  H87  1  0.114037  0.949806  0.609375  1
  H  H88  1  0.512131  0.940676  0.622177  1
  H  H89  1  0.382216  0.792025  0.596934  1
  H  H90  1  0.178797  0.774010  0.622177  1
  H  H91  1  0.642251  0.588490  0.648028  1
  H  H92  1  0.040544  0.579280  0.660867  1
  H  H93  1  -0.089379  0.431224  0.635189  1
  H  H94  1  -0.024416  0.255157  0.648028  1
  H  H95  1  0.243954  0.597890  0.635189  1
  H  H96  1  0.308917  0.421824  0.648028  1
  H  H97  1  0.707211  0.412613  0.660867  1
  H  H98  1  0.577288  0.264557  0.635189  1
  H  H99  1  0.642251  0.088490  0.648028  1
  H  H100  1  0.040544  0.079280  0.660867  1
  H  H101  1  -0.089379  0.931224  0.635189  1
  H  H102  1  -0.024416  0.755157  0.648028  1
  H  H103  1  0.373878  0.245946  0.660867  1
  H  H104  1  0.243954  0.097890  0.635189  1
  H  H105  1  0.308917  0.921824  0.648028  1
  H  H106  1  0.707211  0.912613  0.660867  1
  H  H107  1  0.577288  0.764557  0.635189  1
  H  H108  1  0.373878  0.745946  0.660867  1
  H  H109  1  0.837164  0.561050  0.686299  1
  H  H110  1  0.235460  0.551650  0.699139  1
  H  H111  1  0.105537  0.403594  0.673460  1
  H  H112  1  0.170497  0.227717  0.686299  1
  H  H113  1  0.438870  0.570261  0.673460  1
  H  H114  1  0.503831  0.394384  0.686299  1
  H  H115  1  -0.097873  0.384984  0.699139  1
  H  H116  1  0.772204  0.236927  0.673460  1
  H  H117  1  0.837164  0.061050  0.686299  1
  H  H118  1  0.235460  0.051650  0.699139  1
  H  H119  1  0.105537  0.903594  0.673460  1
  H  H120  1  0.170497  0.727717  0.686299  1
  H  H121  1  0.568794  0.218317  0.699139  1
  H  H122  1  0.438870  0.070261  0.673460  1
  H  H123  1  0.503831  0.894384  0.686299  1
  H  H124  1  -0.097873  0.884984  0.699139  1
  H  H125  1  0.772204  0.736927  0.673460  1
  H  H126  1  0.568794  0.718317  0.699139  1
  H  H127  1  0.032044  0.533068  0.724953  1
  H  H128  1  0.430532  0.524182  0.737394  1
  H  H129  1  0.300617  0.375531  0.712151  1
  H  H130  1  0.365377  0.199735  0.724953  1
  H  H131  1  0.633951  0.542198  0.712151  1
  H  H132  1  0.698711  0.366402  0.724953  1
  H  H133  1  0.097199  0.357516  0.737394  1
  H  H134  1  -0.032716  0.208864  0.712151  1
  H  H135  1  0.032044  0.033068  0.724953  1
  H  H136  1  0.430532  0.024182  0.737394  1
  H  H137  1  0.300617  0.875531  0.712151  1
  H  H138  1  0.365377  0.699735  0.724953  1
  H  H139  1  0.763865  0.190849  0.737394  1
  H  H140  1  0.633951  0.042198  0.712151  1
  H  H141  1  0.698711  0.866402  0.724953  1
  H  H142  1  0.097199  0.857516  0.737394  1
  H  H143  1  -0.032716  0.708864  0.712151  1
  H  H144  1  0.763865  0.690849  0.737394  1
  H  H145  1  0.227042  0.505487  0.763029  1
  H  H146  1  0.625414  0.495766  0.776427  1
  H  H147  1  0.495300  0.348264  0.750364  1
  H  H148  1  0.560376  0.172153  0.763029  1
  H  H149  1  0.828633  0.514931  0.750364  1
  H  H150  1  -0.106291  0.338820  0.763029  1
  H  H151  1  0.292080  0.329100  0.776427  1
  H  H152  1  0.161967  0.181598  0.750364  1
  H  H153  1  0.227042  1.005487  0.763029  1
  H  H154  1  0.625414  0.995766  0.776427  1
  H  H155  1  0.495300  0.848264  0.750364  1
  H  H156  1  0.560376  0.672153  0.763029  1
  H  H157  1  -0.041253  0.162433  0.776427  1
  H  H158  1  0.828633  0.014931  0.750364  1
  H  H159  1  -0.106291  0.838820  0.763029  1
  H  H160  1  0.292080  0.829100  0.776427  1
  H  H161  1  0.161967  0.681598  0.750364  1
  H  H162  1  -0.041253  0.662433  0.776427  1
  H  H163  1  0.421946  0.477772  0.800966  1
  H  H164  1  0.820482  0.468335  0.814136  1
  H  H165  1  0.690345  0.319880  0.789081  1
  H  H166  1  0.755279  0.144438  0.800966  1
  H  H167  1  0.023678  0.486546  0.789081  1
  H  H168  1  0.088613  0.311105  0.800966  1
  H  H169  1  0.487148  0.301669  0.814136  1
  H  H170  1  0.357011  0.153213  0.789081  1
  H  H171  1  0.421946  0.977772  0.800966  1
  H  H172  1  0.820482  0.968335  0.814136  1
  H  H173  1  0.690345  0.819880  0.789081  1
  H  H174  1  0.755279  0.644438  0.800966  1
  H  H175  1  0.153815  0.135002  0.814136  1
  H  H176  1  0.023678  0.986546  0.789081  1
  H  H177  1  0.088613  0.811105  0.800966  1
  H  H178  1  0.487148  0.801669  0.814136  1
  H  H179  1  0.357011  0.653213  0.789081  1
  H  H180  1  0.153815  0.635002  0.814136  1
  H  H181  1  0.617948  0.448732  0.840702  1
  H  H182  1  0.014782  0.440337  0.853535  1
  H  H183  1  -0.115224  0.292253  0.826580  1
  H  H184  1  -0.048719  0.115398  0.840702  1
  H  H185  1  0.218109  0.458919  0.826580  1
  H  H186  1  0.284615  0.282065  0.840702  1
  H  H187  1  0.681449  0.273671  0.853535  1
  H  H188  1  0.551442  0.125586  0.826580  1
  H  H189  1  0.617948  0.948732  0.840702  1
  H  H190  1  0.014782  0.940337  0.853535  1
  H  H191  1  -0.115224  0.792253  0.826580  1
  H  H192  1  -0.048719  0.615398  0.840702  1
  H  H193  1  0.348115  0.107004  0.853535  1
  H  H194  1  0.218109  0.958919  0.826580  1
  H  H195  1  0.284615  0.782065  0.840702  1
  H  H196  1  0.681449  0.773671  0.853535  1
  H  H197  1  0.551442  0.625586  0.826580  1
  H  H198  1  0.348115  0.607004  0.853535  1
  H  H199  1  0.810022  0.427793  0.879494  1
  H  H200  1  0.213214  0.414659  0.891268  1
  H  H201  1  0.081698  0.267428  0.864230  1
  H  H202  1  0.143356  0.094460  0.879494  1
  H  H203  1  0.415031  0.434095  0.864230  1
  H  H204  1  0.476689  0.261127  0.879494  1
  H  H205  1  -0.120120  0.247992  0.891268  1
  H  H206  1  0.748365  0.100762  0.864230  1
  H  H207  1  0.810022  0.927793  0.879494  1
  H  H208  1  0.213214  0.914659  0.891268  1
  H  H209  1  0.081698  0.767428  0.864230  1
  H  H210  1  0.143356  0.594460  0.879494  1
  H  H211  1  0.546547  0.081325  0.891268  1
  H  H212  1  0.415031  0.934095  0.864230  1
  H  H213  1  0.476689  0.761127  0.879494  1
  H  H214  1  -0.120120  0.747992  0.891268  1
  H  H215  1  0.748365  0.600762  0.864230  1
  H  H216  1  0.546547  0.581325  0.891268  1
