# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   24.76910812
_cell_length_b   17.14089394
_cell_length_c   48.14555781
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.37351077
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H960
_cell_volume   20342.4215445
_cell_formula_units_Z   480
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  1.081678  -0.010845  0.298862  1
  H  H2  1  0.748345  -0.010845  0.298862  1
  H  H3  1  0.928023  0.021403  0.278348  1
  H  H4  1  0.415012  -0.010845  0.298862  1
  H  H5  1  0.594689  0.021403  0.278348  1
  H  H6  1  0.915012  0.489155  0.298862  1
  H  H7  1  1.094689  0.521403  0.278348  1
  H  H8  1  0.261356  0.021403  0.278348  1
  H  H9  1  0.581678  0.489155  0.298862  1
  H  H10  1  0.761356  0.521403  0.278348  1
  H  H11  1  0.248345  0.489155  0.298862  1
  H  H12  1  0.428023  0.521403  0.278348  1
  H  H13  1  1.107368  0.119697  0.295279  1
  H  H14  1  0.774035  0.119697  0.295279  1
  H  H15  1  0.954715  0.152254  0.274405  1
  H  H16  1  0.440702  0.119697  0.295279  1
  H  H17  1  0.621382  0.152254  0.274405  1
  H  H18  1  0.940702  0.619697  0.295279  1
  H  H19  1  1.121382  0.652254  0.274405  1
  H  H20  1  0.288049  0.152254  0.274405  1
  H  H21  1  0.607368  0.619697  0.295279  1
  H  H22  1  0.788049  0.652254  0.274405  1
  H  H23  1  0.274035  0.619697  0.295279  1
  H  H24  1  0.454715  0.652254  0.274405  1
  H  H25  1  1.091165  0.253388  0.288351  1
  H  H26  1  0.757832  0.253388  0.288351  1
  H  H27  1  0.911173  0.227760  0.310244  1
  H  H28  1  0.424498  0.253388  0.288351  1
  H  H29  1  0.577839  0.227760  0.310244  1
  H  H30  1  0.924498  0.753388  0.288351  1
  H  H31  1  1.077839  0.727760  0.310244  1
  H  H32  1  0.244506  0.227760  0.310244  1
  H  H33  1  0.591165  0.753388  0.288351  1
  H  H34  1  0.744506  0.727760  0.310244  1
  H  H35  1  0.257832  0.753388  0.288351  1
  H  H36  1  0.411173  0.727760  0.310244  1
  H  H37  1  1.067454  0.389291  0.282899  1
  H  H38  1  0.734121  0.389291  0.282899  1
  H  H39  1  0.888762  0.357940  0.303019  1
  H  H40  1  0.400787  0.389291  0.282899  1
  H  H41  1  0.555429  0.357940  0.303019  1
  H  H42  1  0.900787  0.889291  0.282899  1
  H  H43  1  1.055429  0.857940  0.303019  1
  H  H44  1  0.222096  0.357940  0.303019  1
  H  H45  1  0.567454  0.889291  0.282899  1
  H  H46  1  0.722096  0.857940  0.303019  1
  H  H47  1  0.234121  0.889291  0.282899  1
  H  H48  1  0.388762  0.857940  0.303019  1
  H  H49  1  0.993215  -0.025777  0.309878  1
  H  H50  1  0.659881  -0.025777  0.309878  1
  H  H51  1  0.837814  0.005329  0.288785  1
  H  H52  1  0.326548  -0.025777  0.309878  1
  H  H53  1  0.504481  0.005329  0.288785  1
  H  H54  1  0.826548  0.474223  0.309878  1
  H  H55  1  1.004481  0.505329  0.288785  1
  H  H56  1  0.171147  0.005329  0.288785  1
  H  H57  1  0.493215  0.474223  0.309878  1
  H  H58  1  0.671147  0.505329  0.288785  1
  H  H59  1  1.159881  0.474223  0.309878  1
  H  H60  1  0.337814  0.505329  0.288785  1
  H  H61  1  1.019560  0.104222  0.306120  1
  H  H62  1  0.686226  0.104222  0.306120  1
  H  H63  1  0.862810  0.139455  0.284789  1
  H  H64  1  0.352893  0.104222  0.306120  1
  H  H65  1  0.529477  0.139455  0.284789  1
  H  H66  1  0.852893  0.604222  0.306120  1
  H  H67  1  1.029477  0.639455  0.284789  1
  H  H68  1  0.196143  0.139455  0.284789  1
  H  H69  1  0.519560  0.604222  0.306120  1
  H  H70  1  0.696143  0.639455  0.284789  1
  H  H71  1  0.186226  0.604222  0.306120  1
  H  H72  1  0.362810  0.639455  0.284789  1
  H  H73  1  1.001408  0.240237  0.299586  1
  H  H74  1  0.668075  0.240237  0.299586  1
  H  H75  1  0.823138  0.212559  0.321511  1
  H  H76  1  0.334742  0.240237  0.299586  1
  H  H77  1  0.489804  0.212559  0.321511  1
  H  H78  1  0.834742  0.740237  0.299586  1
  H  H79  1  0.989804  0.712559  0.321511  1
  H  H80  1  1.156471  0.212559  0.321511  1
  H  H81  1  0.501408  0.740237  0.299586  1
  H  H82  1  0.656471  0.712559  0.321511  1
  H  H83  1  1.168075  0.740237  0.299586  1
  H  H84  1  0.323138  0.712559  0.321511  1
  H  H85  1  0.977754  0.372554  0.293099  1
  H  H86  1  0.644420  0.372554  0.293099  1
  H  H87  1  0.801734  0.344897  0.314730  1
  H  H88  1  0.311087  0.372554  0.293099  1
  H  H89  1  0.468401  0.344897  0.314730  1
  H  H90  1  0.811087  0.872554  0.293099  1
  H  H91  1  0.968401  0.844897  0.314730  1
  H  H92  1  1.135068  0.344897  0.314730  1
  H  H93  1  0.477754  0.872554  0.293099  1
  H  H94  1  0.635068  0.844897  0.314730  1
  H  H95  1  1.144420  0.872554  0.293099  1
  H  H96  1  0.301734  0.844897  0.314730  1
  H  H97  1  1.062584  0.933494  0.342374  1
  H  H98  1  0.729251  0.933494  0.342374  1
  H  H99  1  0.904988  -0.036348  0.322072  1
  H  H100  1  0.395918  0.933494  0.342374  1
  H  H101  1  0.571654  -0.036348  0.322072  1
  H  H102  1  0.895918  0.433494  0.342374  1
  H  H103  1  1.071654  0.463652  0.322072  1
  H  H104  1  0.238321  -0.036348  0.322072  1
  H  H105  1  0.562584  0.433494  0.342374  1
  H  H106  1  0.738321  0.463652  0.322072  1
  H  H107  1  0.229251  0.433494  0.342374  1
  H  H108  1  0.404988  0.463652  0.322072  1
  H  H109  1  1.088952  0.064004  0.338504  1
  H  H110  1  0.755619  0.064004  0.338504  1
  H  H111  1  0.931138  0.094017  0.318072  1
  H  H112  1  0.422285  0.064004  0.338504  1
  H  H113  1  0.597804  0.094017  0.318072  1
  H  H114  1  0.922285  0.564004  0.338504  1
  H  H115  1  1.097804  0.594017  0.318072  1
  H  H116  1  0.264471  0.094017  0.318072  1
  H  H117  1  0.588952  0.564004  0.338504  1
  H  H118  1  0.764471  0.594017  0.318072  1
  H  H119  1  0.255619  0.564004  0.338504  1
  H  H120  1  0.431138  0.594017  0.318072  1
  H  H121  1  1.068066  0.197422  0.331937  1
  H  H122  1  0.734732  0.197422  0.331937  1
  H  H123  1  0.891309  0.170996  0.353336  1
  H  H124  1  0.401399  0.197422  0.331937  1
  H  H125  1  0.557975  0.170996  0.353336  1
  H  H126  1  0.901399  0.697422  0.331937  1
  H  H127  1  1.057975  0.670996  0.353336  1
  H  H128  1  0.224642  0.170996  0.353336  1
  H  H129  1  0.568066  0.697422  0.331937  1
  H  H130  1  0.724642  0.670996  0.353336  1
  H  H131  1  0.234732  0.697422  0.331937  1
  H  H132  1  0.391309  0.670996  0.353336  1
  H  H133  1  1.046638  0.331183  0.325730  1
  H  H134  1  0.713305  0.331183  0.325730  1
  H  H135  1  0.869988  0.303463  0.347070  1
  H  H136  1  0.379972  0.331183  0.325730  1
  H  H137  1  0.536655  0.303463  0.347070  1
  H  H138  1  0.879972  0.831183  0.325730  1
  H  H139  1  1.036655  0.803463  0.347070  1
  H  H140  1  0.203321  0.303463  0.347070  1
  H  H141  1  0.546638  0.831183  0.325730  1
  H  H142  1  0.703321  0.803463  0.347070  1
  H  H143  1  0.213305  0.831183  0.325730  1
  H  H144  1  0.369988  0.803463  0.347070  1
  H  H145  1  0.974388  0.919921  0.353425  1
  H  H146  1  0.641055  0.919921  0.353425  1
  H  H147  1  0.817217  0.948182  0.331971  1
  H  H148  1  0.307722  0.919921  0.353425  1
  H  H149  1  0.483883  0.948182  0.331971  1
  H  H150  1  0.807722  0.419921  0.353425  1
  H  H151  1  0.983883  0.448182  0.331971  1
  H  H152  1  1.150550  0.948182  0.331971  1
  H  H153  1  0.474388  0.419921  0.353425  1
  H  H154  1  0.650550  0.448182  0.331971  1
  H  H155  1  1.141055  0.419921  0.353425  1
  H  H156  1  0.317217  0.448182  0.331971  1
  H  H157  1  1.000629  0.050070  0.349109  1
  H  H158  1  0.667295  0.050070  0.349109  1
  H  H159  1  0.843372  0.079552  0.328155  1
  H  H160  1  0.333962  0.050070  0.349109  1
  H  H161  1  0.510038  0.079552  0.328155  1
  H  H162  1  0.833962  0.550070  0.349109  1
  H  H163  1  1.010038  0.579552  0.328155  1
  H  H164  1  0.176705  0.079552  0.328155  1
  H  H165  1  0.500629  0.550070  0.349109  1
  H  H166  1  0.676705  0.579552  0.328155  1
  H  H167  1  1.167295  0.550070  0.349109  1
  H  H168  1  0.343372  0.579552  0.328155  1
  H  H169  1  0.979732  0.184120  0.342261  1
  H  H170  1  0.646399  0.184120  0.342261  1
  H  H171  1  0.802998  0.156106  0.363927  1
  H  H172  1  0.313065  0.184120  0.342261  1
  H  H173  1  0.469664  0.156106  0.363927  1
  H  H174  1  0.813065  0.684120  0.342261  1
  H  H175  1  0.969664  0.656106  0.363927  1
  H  H176  1  1.136331  0.156106  0.363927  1
  H  H177  1  0.479732  0.684120  0.342261  1
  H  H178  1  0.636331  0.656106  0.363927  1
  H  H179  1  1.146399  0.684120  0.342261  1
  H  H180  1  0.302998  0.656106  0.363927  1
  H  H181  1  0.958185  0.317043  0.336232  1
  H  H182  1  0.624852  0.317043  0.336232  1
  H  H183  1  0.781629  0.288852  0.357644  1
  H  H184  1  0.291518  0.317043  0.336232  1
  H  H185  1  0.448296  0.288852  0.357644  1
  H  H186  1  0.791518  0.817043  0.336232  1
  H  H187  1  0.948296  0.788852  0.357644  1
  H  H188  1  1.114962  0.288852  0.357644  1
  H  H189  1  0.458185  0.817043  0.336232  1
  H  H190  1  0.614962  0.788852  0.357644  1
  H  H191  1  1.124852  0.817043  0.336232  1
  H  H192  1  0.281629  0.788852  0.357644  1
  H  H193  1  1.044413  0.877378  0.385419  1
  H  H194  1  0.711079  0.877378  0.385419  1
  H  H195  1  0.886484  0.905541  0.364211  1
  H  H196  1  0.377746  0.877378  0.385419  1
  H  H197  1  0.553151  0.905541  0.364211  1
  H  H198  1  0.877746  0.377378  0.385419  1
  H  H199  1  1.053151  0.405541  0.364211  1
  H  H200  1  0.219818  0.905541  0.364211  1
  H  H201  1  0.544413  0.377378  0.385419  1
  H  H202  1  0.719818  0.405541  0.364211  1
  H  H203  1  0.211079  0.377378  0.385419  1
  H  H204  1  0.386484  0.405541  0.364211  1
  H  H205  1  1.068781  0.008278  0.381239  1
  H  H206  1  0.735448  0.008278  0.381239  1
  H  H207  1  0.912242  0.037272  0.360483  1
  H  H208  1  0.402114  0.008278  0.381239  1
  H  H209  1  0.578909  0.037272  0.360483  1
  H  H210  1  0.902114  0.508278  0.381239  1
  H  H211  1  1.078909  0.537272  0.360483  1
  H  H212  1  0.245575  0.037272  0.360483  1
  H  H213  1  0.568781  0.508278  0.381239  1
  H  H214  1  0.745575  0.537272  0.360483  1
  H  H215  1  0.235448  0.508278  0.381239  1
  H  H216  1  0.412242  0.537272  0.360483  1
  H  H217  1  1.048053  0.141873  0.374339  1
  H  H218  1  0.714720  0.141873  0.374339  1
  H  H219  1  0.871280  0.114798  0.395863  1
  H  H220  1  0.381387  0.141873  0.374339  1
  H  H221  1  0.537946  0.114798  0.395863  1
  H  H222  1  0.881387  0.641873  0.374339  1
  H  H223  1  1.037946  0.614798  0.395863  1
  H  H224  1  0.204613  0.114798  0.395863  1
  H  H225  1  0.548053  0.641873  0.374339  1
  H  H226  1  0.704613  0.614798  0.395863  1
  H  H227  1  0.214720  0.641873  0.374339  1
  H  H228  1  0.371280  0.614798  0.395863  1
  H  H229  1  1.026873  0.274435  0.368241  1
  H  H230  1  0.693539  0.274435  0.368241  1
  H  H231  1  0.850722  0.246976  0.389803  1
  H  H232  1  0.360206  0.274435  0.368241  1
  H  H233  1  0.517389  0.246976  0.389803  1
  H  H234  1  0.860206  0.774435  0.368241  1
  H  H235  1  1.017389  0.746976  0.389803  1
  H  H236  1  0.184056  0.246976  0.389803  1
  H  H237  1  0.526873  0.774435  0.368241  1
  H  H238  1  0.684056  0.746976  0.389803  1
  H  H239  1  0.193539  0.774435  0.368241  1
  H  H240  1  0.350722  0.746976  0.389803  1
  H  H241  1  0.956630  0.862894  0.396173  1
  H  H242  1  0.623297  0.862894  0.396173  1
  H  H243  1  0.798759  0.891338  0.374642  1
  H  H244  1  0.289963  0.862894  0.396173  1
  H  H245  1  0.465426  0.891338  0.374642  1
  H  H246  1  0.789963  0.362894  0.396173  1
  H  H247  1  0.965426  0.391338  0.374642  1
  H  H248  1  1.132093  0.891338  0.374642  1
  H  H249  1  0.456630  0.362894  0.396173  1
  H  H250  1  0.632093  0.391338  0.374642  1
  H  H251  1  1.123297  0.362894  0.396173  1
  H  H252  1  0.298759  0.391338  0.374642  1
  H  H253  1  0.980054  -0.005597  0.392092  1
  H  H254  1  0.646721  -0.005597  0.392092  1
  H  H255  1  0.823997  0.022427  0.370643  1
  H  H256  1  0.313387  -0.005597  0.392092  1
  H  H257  1  0.490664  0.022427  0.370643  1
  H  H258  1  0.813387  0.494403  0.392092  1
  H  H259  1  0.990664  0.522427  0.370643  1
  H  H260  1  1.157330  0.022427  0.370643  1
  H  H261  1  0.480054  0.494403  0.392092  1
  H  H262  1  0.657330  0.522427  0.370643  1
  H  H263  1  1.146721  0.494403  0.392092  1
  H  H264  1  0.323997  0.522427  0.370643  1
  H  H265  1  0.959897  0.128576  0.384992  1
  H  H266  1  0.626563  0.128576  0.384992  1
  H  H267  1  0.782788  0.100438  0.406385  1
  H  H268  1  0.293230  0.128576  0.384992  1
  H  H269  1  0.449455  0.100438  0.406385  1
  H  H270  1  0.793230  0.628576  0.384992  1
  H  H271  1  0.949455  0.600438  0.406385  1
  H  H272  1  1.116122  0.100438  0.406385  1
  H  H273  1  0.459897  0.628576  0.384992  1
  H  H274  1  0.616122  0.600438  0.406385  1
  H  H275  1  1.126563  0.628576  0.384992  1
  H  H276  1  0.282788  0.600438  0.406385  1
  H  H277  1  0.938888  0.260822  0.379001  1
  H  H278  1  0.605554  0.260822  0.379001  1
  H  H279  1  0.762684  0.232586  0.400485  1
  H  H280  1  0.272221  0.260822  0.379001  1
  H  H281  1  0.429351  0.232586  0.400485  1
  H  H282  1  0.772221  0.760822  0.379001  1
  H  H283  1  0.929351  0.732586  0.400485  1
  H  H284  1  1.096018  0.232586  0.400485  1
  H  H285  1  0.438888  0.760822  0.379001  1
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  H  H867  1  0.758148  0.501964  0.666232  1
  H  H868  1  0.248796  0.474307  0.687863  1
  H  H869  1  0.424815  0.501964  0.666232  1
  H  H870  1  0.748796  -0.025693  0.687863  1
  H  H871  1  0.924815  0.001964  0.666232  1
  H  H872  1  1.091482  0.501964  0.666232  1
  H  H873  1  0.415463  -0.025693  0.687863  1
  H  H874  1  0.591482  0.001964  0.666232  1
  H  H875  1  1.082129  -0.025693  0.687863  1
  H  H876  1  0.258148  0.001964  0.666232  1
  H  H877  1  0.891808  0.606624  0.681377  1
  H  H878  1  0.558475  0.606624  0.681377  1
  H  H879  1  0.736745  0.634301  0.659451  1
  H  H880  1  0.225141  0.606624  0.681377  1
  H  H881  1  0.403412  0.634301  0.659451  1
  H  H882  1  0.725141  0.106624  0.681377  1
  H  H883  1  0.903412  0.134301  0.659451  1
  H  H884  1  1.070079  0.634301  0.659451  1
  H  H885  1  0.391808  0.106624  0.681377  1
  H  H886  1  0.570079  0.134301  0.659451  1
  H  H887  1  1.058475  0.106624  0.681377  1
  H  H888  1  0.236745  0.134301  0.659451  1
  H  H889  1  0.873657  0.742638  0.674843  1
  H  H890  1  0.540323  0.742638  0.674843  1
  H  H891  1  0.697073  0.707405  0.696173  1
  H  H892  1  0.206990  0.742638  0.674843  1
  H  H893  1  0.363740  0.707405  0.696173  1
  H  H894  1  0.706990  0.242638  0.674843  1
  H  H895  1  0.863740  0.207405  0.696173  1
  H  H896  1  1.030406  0.707405  0.696173  1
  H  H897  1  0.373657  0.242638  0.674843  1
  H  H898  1  0.530406  0.207405  0.696173  1
  H  H899  1  1.040323  0.242638  0.674843  1
  H  H900  1  0.197073  0.207405  0.696173  1
  H  H901  1  0.900002  0.872638  0.671085  1
  H  H902  1  0.566668  0.872638  0.671085  1
  H  H903  1  0.722069  0.841531  0.692177  1
  H  H904  1  0.233335  0.872638  0.671085  1
  H  H905  1  0.388736  0.841531  0.692177  1
  H  H906  1  0.733335  0.372638  0.671085  1
  H  H907  1  0.888736  0.341531  0.692177  1
  H  H908  1  1.055402  0.841531  0.692177  1
  H  H909  1  0.400002  0.372638  0.671085  1
  H  H910  1  0.555402  0.341531  0.692177  1
  H  H911  1  1.066668  0.372638  0.671085  1
  H  H912  1  0.222069  0.341531  0.692177  1
  H  H913  1  0.825762  0.457570  0.698064  1
  H  H914  1  0.492429  0.457570  0.698064  1
  H  H915  1  0.671121  0.488921  0.677944  1
  H  H916  1  1.159096  0.457570  0.698064  1
  H  H917  1  0.337787  0.488921  0.677944  1
  H  H918  1  0.659096  -0.042430  0.698064  1
  H  H919  1  0.837787  -0.011079  0.677944  1
  H  H920  1  1.004454  0.488921  0.677944  1
  H  H921  1  0.325762  -0.042430  0.698064  1
  H  H922  1  0.504454  -0.011079  0.677944  1
  H  H923  1  0.992429  -0.042430  0.698064  1
  H  H924  1  0.171121  -0.011079  0.677944  1
  H  H925  1  0.802051  0.593472  0.692612  1
  H  H926  1  0.468718  0.593472  0.692612  1
  H  H927  1  0.648710  0.619101  0.670719  1
  H  H928  1  1.135385  0.593472  0.692612  1
  H  H929  1  0.315377  0.619101  0.670719  1
  H  H930  1  0.635385  0.093472  0.692612  1
  H  H931  1  0.815377  0.119101  0.670719  1
  H  H932  1  0.982044  0.619101  0.670719  1
  H  H933  1  0.302051  0.093472  0.692612  1
  H  H934  1  0.482044  0.119101  0.670719  1
  H  H935  1  0.968718  0.093472  0.692612  1
  H  H936  1  1.148710  0.119101  0.670719  1
  H  H937  1  0.785848  0.727163  0.685683  1
  H  H938  1  0.452515  0.727163  0.685683  1
  H  H939  1  0.605168  0.694607  0.706558  1
  H  H940  1  1.119181  0.727163  0.685683  1
  H  H941  1  0.271834  0.694607  0.706558  1
  H  H942  1  0.619181  0.227163  0.685683  1
  H  H943  1  0.771834  0.194607  0.706558  1
  H  H944  1  0.938501  0.694607  0.706558  1
  H  H945  1  0.285848  0.227163  0.685683  1
  H  H946  1  0.438501  0.194607  0.706558  1
  H  H947  1  0.952515  0.227163  0.685683  1
  H  H948  1  1.105168  0.194607  0.706558  1
  H  H949  1  0.811538  0.857706  0.682100  1
  H  H950  1  0.478205  0.857706  0.682100  1
  H  H951  1  0.631860  0.825458  0.702614  1
  H  H952  1  1.144871  0.857706  0.682100  1
  H  H953  1  0.298527  0.825458  0.702614  1
  H  H954  1  0.644871  0.357706  0.682100  1
  H  H955  1  0.798527  0.325458  0.702614  1
  H  H956  1  0.965194  0.825458  0.702614  1
  H  H957  1  0.311538  0.357706  0.682100  1
  H  H958  1  0.465194  0.325458  0.702614  1
  H  H959  1  0.978205  0.357706  0.682100  1
  H  H960  1  1.131860  0.325458  0.702614  1
