# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.81584687
_cell_length_b   16.79226168
_cell_length_c   48.35774926
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.42446282
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H384
_cell_volume   7714.29354991
_cell_formula_units_Z   192
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  0.361124  0.135324  0.271339  1
  H  H2  1  0.820736  0.120858  0.290385  1
  H  H3  1  0.320736  0.620858  0.290385  1
  H  H4  1  0.861124  0.635324  0.271339  1
  H  H5  1  0.483482  0.292544  0.263738  1
  H  H6  1  0.942380  0.221709  0.298074  1
  H  H7  1  0.442380  0.721709  0.298074  1
  H  H8  1  0.983482  0.792544  0.263738  1
  H  H9  1  0.307013  0.375747  0.291190  1
  H  H10  1  0.834540  0.361015  0.287497  1
  H  H11  1  0.334540  0.861015  0.287497  1
  H  H12  1  0.807013  0.875747  0.291190  1
  H  H13  1  0.205397  0.513426  0.281084  1
  H  H14  1  0.726980  0.501865  0.278644  1
  H  H15  1  0.226980  0.001865  0.278644  1
  H  H16  1  0.705397  0.013426  0.281084  1
  H  H17  1  1.114856  0.144166  0.269676  1
  H  H18  1  0.592795  0.152484  0.272835  1
  H  H19  1  1.092795  0.652484  0.272835  1
  H  H20  1  0.614856  0.644166  0.269676  1
  H  H21  1  0.249125  0.272701  0.262402  1
  H  H22  1  0.714025  0.258766  0.280386  1
  H  H23  1  0.214025  0.758766  0.280386  1
  H  H24  1  0.749125  0.772701  0.262402  1
  H  H25  1  1.072874  0.359339  0.289150  1
  H  H26  1  0.598440  0.400161  0.271323  1
  H  H27  1  1.098440  0.900161  0.271323  1
  H  H28  1  0.572874  0.859339  0.289150  1
  H  H29  1  0.970722  0.497487  0.279498  1
  H  H30  1  0.489456  0.540982  0.262310  1
  H  H31  1  0.989456  0.040982  0.262310  1
  H  H32  1  0.470722  -0.002513  0.279498  1
  H  H33  1  0.281901  0.087259  0.310400  1
  H  H34  1  0.741998  0.059321  0.327063  1
  H  H35  1  0.241998  0.559321  0.327063  1
  H  H36  1  0.781901  0.587259  0.310400  1
  H  H37  1  0.409860  0.234644  0.301906  1
  H  H38  1  0.861678  0.161212  0.335274  1
  H  H39  1  0.361678  0.661212  0.335274  1
  H  H40  1  0.909860  0.734644  0.301906  1
  H  H41  1  0.228446  0.320486  0.329698  1
  H  H42  1  0.758056  0.300723  0.325805  1
  H  H43  1  0.258056  0.800723  0.325805  1
  H  H44  1  0.728446  0.820486  0.329698  1
  H  H45  1  1.122079  0.457073  0.319729  1
  H  H46  1  0.653436  0.439641  0.316729  1
  H  H47  1  1.153436  0.939641  0.316729  1
  H  H48  1  0.622079  0.957073  0.319729  1
  H  H49  1  1.047465  0.079430  0.308178  1
  H  H50  1  0.515826  0.095070  0.310854  1
  H  H51  1  1.015826  0.595070  0.310854  1
  H  H52  1  0.547465  0.579430  0.308178  1
  H  H53  1  0.178975  0.224268  0.302235  1
  H  H54  1  0.636056  0.198604  0.318012  1
  H  H55  1  1.136056  0.698604  0.318012  1
  H  H56  1  0.678975  0.724268  0.302235  1
  H  H57  1  0.992215  0.311923  0.328526  1
  H  H58  1  0.531297  0.337332  0.309293  1
  H  H59  1  1.031297  0.837332  0.309293  1
  H  H60  1  0.492215  0.811923  0.328526  1
  H  H61  1  0.887498  0.449628  0.318789  1
  H  H62  1  0.425983  0.477968  0.300460  1
  H  H63  1  0.925983  -0.022032  0.300460  1
  H  H64  1  0.387498  0.949628  0.318789  1
  H  H65  1  0.201439  0.031496  0.347124  1
  H  H66  1  0.665525  0.002304  0.364608  1
  H  H67  1  1.165525  0.502304  0.364608  1
  H  H68  1  0.701439  0.531496  0.347124  1
  H  H69  1  0.333395  0.180109  0.339707  1
  H  H70  1  0.783598  0.103222  0.372303  1
  H  H71  1  0.283598  0.603222  0.372303  1
  H  H72  1  0.833395  0.680109  0.339707  1
  H  H73  1  1.147814  0.264107  0.366948  1
  H  H74  1  0.678442  0.242880  0.362827  1
  H  H75  1  0.178442  0.742880  0.362827  1
  H  H76  1  0.647814  0.764107  0.366948  1
  H  H77  1  1.043224  0.403228  0.358010  1
  H  H78  1  0.573400  0.382359  0.353719  1
  H  H79  1  1.073400  0.882359  0.353719  1
  H  H80  1  0.543224  0.903228  0.358010  1
  H  H81  1  0.967187  0.021574  0.344851  1
  H  H82  1  0.437940  0.041035  0.348772  1
  H  H83  1  0.937940  0.541035  0.348772  1
  H  H84  1  0.467187  0.521574  0.344851  1
  H  H85  1  1.094865  0.170852  0.338323  1
  H  H86  1  0.559948  0.141445  0.355323  1
  H  H87  1  1.059948  0.641445  0.355323  1
  H  H88  1  0.594865  0.670852  0.338323  1
  H  H89  1  0.911810  0.253726  0.365096  1
  H  H90  1  0.453791  0.280814  0.346337  1
  H  H91  1  0.953791  0.780814  0.346337  1
  H  H92  1  0.411810  0.753726  0.365096  1
  H  H93  1  0.807272  0.393123  0.355948  1
  H  H94  1  0.347976  0.420059  0.336941  1
  H  H95  1  0.847976  0.920059  0.336941  1
  H  H96  1  0.307272  0.893123  0.355948  1
  H  H97  1  1.121868  -0.025425  0.384018  1
  H  H98  1  0.587942  0.944638  0.401985  1
  H  H99  1  1.087942  0.444638  0.401985  1
  H  H100  1  0.621868  0.474575  0.384018  1
  H  H101  1  0.251088  0.124952  0.376605  1
  H  H102  1  0.707341  0.044941  0.409994  1
  H  H103  1  0.207341  0.544941  0.409994  1
  H  H104  1  0.751088  0.624952  0.376605  1
  H  H105  1  1.064275  0.208527  0.404206  1
  H  H106  1  0.601478  0.185029  0.400544  1
  H  H107  1  1.101478  0.685029  0.400544  1
  H  H108  1  0.564275  0.708527  0.404206  1
  H  H109  1  0.959931  0.347595  0.394880  1
  H  H110  1  0.495838  0.324756  0.391252  1
  H  H111  1  0.995838  0.824756  0.391252  1
  H  H112  1  0.459931  0.847595  0.394880  1
  H  H113  1  0.889583  -0.036055  0.381920  1
  H  H114  1  0.355139  -0.013517  0.385945  1
  H  H115  1  0.855139  0.486483  0.385945  1
  H  H116  1  0.389583  0.463945  0.381920  1
  H  H117  1  1.016256  0.113771  0.374751  1
  H  H118  1  0.481946  0.084526  0.392645  1
  H  H119  1  0.981946  0.584526  0.392645  1
  H  H120  1  0.516256  0.613771  0.374751  1
  H  H121  1  0.831739  0.197074  0.402387  1
  H  H122  1  0.376285  0.224014  0.383565  1
  H  H123  1  0.876285  0.724014  0.383565  1
  H  H124  1  0.331739  0.697074  0.402387  1
  H  H125  1  0.727240  0.335779  0.393063  1
  H  H126  1  0.270935  0.363220  0.374254  1
  H  H127  1  0.770935  0.863220  0.374254  1
  H  H128  1  0.227240  0.835779  0.393063  1
  H  H129  1  1.040713  0.920074  0.421749  1
  H  H130  1  0.517861  0.878305  0.438957  1
  H  H131  1  1.017861  0.378305  0.438957  1
  H  H132  1  0.540713  0.420074  0.421749  1
  H  H133  1  1.168208  0.069024  0.413934  1
  H  H134  1  0.637874  -0.022370  0.447490  1
  H  H135  1  1.137874  0.477630  0.447490  1
  H  H136  1  0.668208  0.569024  0.413934  1
  H  H137  1  0.979497  0.152119  0.442775  1
  H  H138  1  0.529015  0.120837  0.438042  1
  H  H139  1  1.029015  0.620837  0.438042  1
  H  H140  1  0.479497  0.652119  0.442775  1
  H  H141  1  0.876780  0.290473  0.432960  1
  H  H142  1  0.421108  0.263085  0.428741  1
  H  H143  1  0.921108  0.763085  0.428741  1
  H  H144  1  0.376780  0.790473  0.432960  1
  H  H145  1  0.813966  0.904364  0.419471  1
  H  H146  1  0.272837  0.929530  0.423502  1
  H  H147  1  0.772837  0.429530  0.423502  1
  H  H148  1  0.313966  0.404364  0.419471  1
  H  H149  1  0.935958  0.058409  0.412143  1
  H  H150  1  0.409441  0.020866  0.429737  1
  H  H151  1  0.909441  0.520866  0.429737  1
  H  H152  1  0.435958  0.558409  0.412143  1
  H  H153  1  0.747651  0.144819  0.440621  1
  H  H154  1  0.301532  0.162639  0.420435  1
  H  H155  1  0.801532  0.662639  0.420435  1
  H  H156  1  0.247651  0.644819  0.440621  1
  H  H157  1  0.644625  0.282183  0.431131  1
  H  H158  1  0.194269  0.303889  0.411151  1
  H  H159  1  0.694270  0.803889  0.411151  1
  H  H160  1  1.144625  0.782183  0.431131  1
  H  H161  1  0.952891  0.870027  0.459993  1
  H  H162  1  0.456495  0.803744  0.476677  1
  H  H163  1  0.956495  0.303744  0.476677  1
  H  H164  1  0.452891  0.370027  0.459993  1
  H  H165  1  1.081568  0.014057  0.452844  1
  H  H166  1  0.575891  0.900501  0.485083  1
  H  H167  1  1.075891  0.400501  0.485083  1
  H  H168  1  0.581568  0.514057  0.452844  1
  H  H169  1  0.885431  0.101512  0.482279  1
  H  H170  1  0.465113  0.045448  0.475507  1
  H  H171  1  0.965113  0.545448  0.475507  1
  H  H172  1  0.385431  0.601512  0.482279  1
  H  H173  1  0.784681  0.238753  0.472456  1
  H  H174  1  0.355742  0.189782  0.466091  1
  H  H175  1  0.855742  0.689782  0.466091  1
  H  H176  1  0.284681  0.738753  0.472456  1
  H  H177  1  0.746873  0.833741  0.456791  1
  H  H178  1  0.183464  0.876253  0.462706  1
  H  H179  1  0.683464  0.376253  0.462706  1
  H  H180  1  0.246873  0.333741  0.456791  1
  H  H181  1  0.850461  0.007498  0.450323  1
  H  H182  1  0.346500  0.948029  0.467242  1
  H  H183  1  0.846500  0.448029  0.467242  1
  H  H184  1  0.350461  0.507498  0.450323  1
  H  H185  1  0.656015  0.095236  0.479210  1
  H  H186  1  0.236075  0.092039  0.457790  1
  H  H187  1  0.736075  0.592039  0.457790  1
  H  H188  1  1.156015  0.595236  0.479210  1
  H  H189  1  0.554540  0.232641  0.469556  1
  H  H190  1  1.126606  0.235358  0.448306  1
  H  H191  1  0.626606  0.735358  0.448306  1
  H  H192  1  1.054540  0.732641  0.469556  1
  H  H193  1  1.088055  0.826882  0.501775  1
  H  H194  1  0.515989  0.824165  0.523025  1
  H  H195  1  1.015989  0.324165  0.523025  1
  H  H196  1  0.588055  0.326882  0.501775  1
  H  H197  1  0.986580  -0.035714  0.492121  1
  H  H198  1  0.406520  -0.032516  0.513541  1
  H  H199  1  0.906520  0.467484  0.513541  1
  H  H200  1  0.486580  0.464286  0.492121  1
  H  H201  1  0.792134  0.052024  0.521008  1
  H  H202  1  0.296095  0.111493  0.504089  1
  H  H203  1  0.796095  0.611493  0.504089  1
  H  H204  1  0.292134  0.552024  0.521008  1
  H  H205  1  0.895722  0.225781  0.514540  1
  H  H206  1  0.459131  0.183270  0.508625  1
  H  H207  1  0.959131  0.683270  0.508625  1
  H  H208  1  0.395722  0.725781  0.514540  1
  H  H209  1  0.857914  0.820770  0.498875  1
  H  H210  1  0.286853  0.869741  0.505240  1
  H  H211  1  0.786853  0.369741  0.505240  1
  H  H212  1  0.357914  0.320770  0.498875  1
  H  H213  1  0.757164  0.958011  0.489052  1
  H  H214  1  0.177482  0.014075  0.495824  1
  H  H215  1  0.677482  0.514075  0.495824  1
  H  H216  1  0.257164  0.458011  0.489052  1
  H  H217  1  0.561027  0.045465  0.518487  1
  H  H218  1  1.066704  0.159021  0.486249  1
  H  H219  1  0.566704  0.659021  0.486249  1
  H  H220  1  1.061027  0.545465  0.518487  1
  H  H221  1  0.689704  0.189495  0.511338  1
  H  H222  1  0.186100  0.255779  0.494654  1
  H  H223  1  0.686100  0.755779  0.494654  1
  H  H224  1  0.189704  0.689495  0.511338  1
  H  H225  1  0.997970  0.777340  0.540201  1
  H  H226  1  0.448326  0.755633  0.560181  1
  H  H227  1  0.948326  0.255633  0.560181  1
  H  H228  1  0.497970  0.277340  0.540201  1
  H  H229  1  0.894944  0.914703  0.530710  1
  H  H230  1  0.341063  0.896884  0.550896  1
  H  H231  1  0.841063  0.396884  0.550896  1
  H  H232  1  0.394944  0.414703  0.530710  1
  H  H233  1  0.706637  0.001114  0.559188  1
  H  H234  1  0.233154  0.038656  0.541594  1
  H  H235  1  0.733154  0.538656  0.541594  1
  H  H236  1  0.206637  0.501114  0.559188  1
  H  H237  1  0.828629  0.155159  0.551860  1
  H  H238  1  0.369758  0.129993  0.547829  1
  H  H239  1  0.869758  0.629993  0.547829  1
  H  H240  1  0.328629  0.655159  0.551860  1
  H  H241  1  0.765815  0.769049  0.538371  1
  H  H242  1  0.221487  0.796438  0.542590  1
  H  H243  1  0.721487  0.296438  0.542590  1
  H  H244  1  0.265815  0.269049  0.538371  1
  H  H245  1  0.663098  0.907404  0.528557  1
  H  H246  1  1.113580  0.938686  0.533289  1
  H  H247  1  0.613580  0.438686  0.533289  1
  H  H248  1  1.163098  0.407404  0.528557  1
  H  H249  1  0.474387  -0.009501  0.557398  1
  H  H250  1  1.004721  0.081893  0.523841  1
  H  H251  1  0.504721  0.581893  0.523841  1
  H  H252  1  0.974387  0.490499  0.557398  1
  H  H253  1  0.601883  0.139449  0.549583  1
  H  H254  1  1.124734  0.181218  0.532374  1
  H  H255  1  0.624734  0.681218  0.532374  1
  H  H256  1  1.101883  0.639449  0.549583  1
  H  H257  1  0.915356  0.723744  0.578268  1
  H  H258  1  0.371660  0.696303  0.597077  1
  H  H259  1  0.871660  0.196303  0.597077  1
  H  H260  1  0.415356  0.223744  0.578268  1
  H  H261  1  0.810856  0.862448  0.568944  1
  H  H262  1  0.266310  0.835508  0.587766  1
  H  H263  1  0.766310  0.335508  0.587766  1
  H  H264  1  0.310856  0.362448  0.568944  1
  H  H265  1  0.626339  0.945752  0.596580  1
  H  H266  1  1.160649  -0.025003  0.578686  1
  H  H267  1  0.660649  0.474997  0.578686  1
  H  H268  1  1.126339  0.445752  0.596580  1
  H  H269  1  0.753012  0.095577  0.589411  1
  H  H270  1  0.287456  0.073040  0.585386  1
  H  H271  1  0.787456  0.573040  0.585386  1
  H  H272  1  0.253012  0.595577  0.589411  1
  H  H273  1  0.682664  0.711928  0.576451  1
  H  H274  1  1.146757  0.734766  0.580079  1
  H  H275  1  0.646757  0.234766  0.580079  1
  H  H276  1  0.182664  0.211928  0.576451  1
  H  H277  1  0.578320  0.850995  0.567125  1
  H  H278  1  1.041117  0.874493  0.570787  1
  H  H279  1  0.541117  0.374493  0.570787  1
  H  H280  1  1.078320  0.350995  0.567125  1
  H  H281  1  0.391507  0.934570  0.594726  1
  H  H282  1  0.935254  0.014582  0.561337  1
  H  H283  1  0.435254  0.514582  0.561337  1
  H  H284  1  0.891507  0.434570  0.594726  1
  H  H285  1  0.520727  0.084947  0.587314  1
  H  H286  1  1.054653  0.114885  0.569347  1
  H  H287  1  0.554653  0.614885  0.569347  1
  H  H288  1  1.020727  0.584947  0.587314  1
  H  H289  1  0.835323  0.666400  0.615384  1
  H  H290  1  0.294619  0.639464  0.634390  1
  H  H291  1  0.794619  0.139464  0.634390  1
  H  H292  1  0.335323  0.166400  0.615384  1
  H  H293  1  0.730785  0.805796  0.606235  1
  H  H294  1  0.188804  0.778709  0.624995  1
  H  H295  1  0.688804  0.278709  0.624995  1
  H  H296  1  0.230785  0.305796  0.606235  1
  H  H297  1  0.547730  0.888671  0.633009  1
  H  H298  1  1.082647  0.918077  0.616008  1
  H  H299  1  0.582647  0.418077  0.616008  1
  H  H300  1  1.047730  0.388671  0.633009  1
  H  H301  1  0.675408  0.037948  0.626480  1
  H  H302  1  0.204656  0.018487  0.622560  1
  H  H303  1  0.704656  0.518487  0.622560  1
  H  H304  1  0.175408  0.537948  0.626480  1
  H  H305  1  0.599371  0.656295  0.613321  1
  H  H306  1  1.069195  0.677164  0.617613  1
  H  H307  1  0.569195  0.177164  0.617613  1
  H  H308  1  1.099371  0.156295  0.613321  1
  H  H309  1  0.494781  0.795415  0.604384  1
  H  H310  1  0.964153  0.816643  0.608504  1
  H  H311  1  0.464153  0.316643  0.608504  1
  H  H312  1  0.994781  0.295415  0.604384  1
  H  H313  1  0.309201  0.879413  0.631624  1
  H  H314  1  0.858997  0.956301  0.599028  1
  H  H315  1  0.358997  0.456301  0.599028  1
  H  H316  1  0.809201  0.379413  0.631624  1
  H  H317  1  0.441156  0.028026  0.624207  1
  H  H318  1  0.977071  0.057219  0.606723  1
  H  H319  1  0.477071  0.557219  0.606723  1
  H  H320  1  0.941156  0.528026  0.624207  1
  H  H321  1  0.755097  0.609894  0.652542  1
  H  H322  1  0.216613  0.581554  0.670871  1
  H  H323  1  0.716613  0.081554  0.670871  1
  H  H324  1  0.255097  0.109894  0.652542  1
  H  H325  1  0.650380  0.747599  0.642805  1
  H  H326  1  1.111298  0.722191  0.662038  1
  H  H327  1  0.611298  0.222191  0.662038  1
  H  H328  1  1.150380  0.247599  0.642805  1
  H  H329  1  0.463621  0.835255  0.669096  1
  H  H330  1  1.006539  0.860919  0.653319  1
  H  H331  1  0.506539  0.360919  0.653319  1
  H  H332  1  0.963621  0.335255  0.669096  1
  H  H333  1  0.595130  -0.019908  0.663153  1
  H  H334  1  1.126769  -0.035547  0.660477  1
  H  H335  1  0.626769  0.464453  0.660477  1
  H  H336  1  1.095130  0.480092  0.663153  1
  H  H337  1  0.520516  0.602450  0.651603  1
  H  H338  1  0.989159  0.619881  0.654602  1
  H  H339  1  0.489159  0.119881  0.654602  1
  H  H340  1  1.020516  0.102450  0.651603  1
  H  H341  1  0.414150  0.739037  0.641634  1
  H  H342  1  0.884539  0.758799  0.645526  1
  H  H343  1  0.384539  0.258799  0.645526  1
  H  H344  1  0.914150  0.239037  0.641634  1
  H  H345  1  0.232735  0.824879  0.669425  1
  H  H346  1  0.780918  0.898310  0.636057  1
  H  H347  1  0.280918  0.398310  0.636057  1
  H  H348  1  0.732735  0.324879  0.669425  1
  H  H349  1  0.360695  -0.027736  0.660931  1
  H  H350  1  0.900597  0.000202  0.644268  1
  H  H351  1  0.400597  0.500202  0.644268  1
  H  H352  1  0.860695  0.472264  0.660931  1
  H  H353  1  0.671873  0.562035  0.691833  1
  H  H354  1  1.153139  0.518541  0.709022  1
  H  H355  1  0.653139  0.018541  0.709022  1
  H  H356  1  1.171873  0.062035  0.691833  1
  H  H357  1  0.569721  0.700184  0.682182  1
  H  H358  1  1.044155  0.659361  0.700009  1
  H  H359  1  0.544155  0.159361  0.700009  1
  H  H360  1  1.069721  0.200184  0.682182  1
  H  H361  1  0.393470  0.786822  0.708930  1
  H  H362  1  0.928571  0.800756  0.690945  1
  H  H363  1  0.428571  0.300756  0.690945  1
  H  H364  1  0.893471  0.286822  0.708930  1
  H  H365  1  0.527739  0.915357  0.701655  1
  H  H366  1  1.049800  0.907039  0.698496  1
  H  H367  1  0.549800  0.407039  0.698496  1
  H  H368  1  1.027739  0.415357  0.701655  1
  H  H369  1  0.437199  0.546096  0.690248  1
  H  H370  1  0.915615  0.557658  0.692687  1
  H  H371  1  0.415615  0.057658  0.692687  1
  H  H372  1  0.937199  0.046096  0.690248  1
  H  H373  1  0.335582  0.683776  0.680141  1
  H  H374  1  0.808055  0.698508  0.683834  1
  H  H375  1  0.308055  0.198508  0.683834  1
  H  H376  1  0.835582  0.183776  0.680141  1
  H  H377  1  1.159113  0.766979  0.707593  1
  H  H378  1  0.700215  0.837814  0.673257  1
  H  H379  1  0.200215  0.337814  0.673257  1
  H  H380  1  0.659113  0.266979  0.707593  1
  H  H381  1  0.281471  0.924199  0.699992  1
  H  H382  1  0.821859  0.938665  0.680946  1
  H  H383  1  0.321859  0.438665  0.680946  1
  H  H384  1  0.781471  0.424199  0.699992  1
