# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.11438952
_cell_length_b   17.99383130
_cell_length_c   47.90562057
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.98530947
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H360
_cell_volume   7737.6446095
_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  0.236740  0.849165  0.318349  1
  H  H2  1  0.879878  0.879558  0.312966  1
  H  H3  1  0.746276  0.566536  0.286235  1
  H  H4  1  0.780323  0.703741  0.290434  1
  H  H5  1  0.537964  0.544847  0.314378  1
  H  H6  1  0.415349  0.733627  0.286425  1
  H  H7  1  0.451363  0.871210  0.290377  1
  H  H8  1  0.410410  0.231175  0.286011  1
  H  H9  1  0.440925  0.367453  0.289772  1
  H  H10  1  0.206329  0.711623  0.314605  1
  H  H11  1  0.204183  0.211421  0.314624  1
  H  H12  1  0.078988  0.399196  0.285910  1
  H  H13  1  0.110047  0.535783  0.289833  1
  H  H14  1  0.111339  1.037202  0.290415  1
  H  H15  1  0.869208  0.376915  0.313909  1
  H  H16  1  0.752142  1.064627  0.285992  1
  H  H17  1  0.780369  0.203915  0.290400  1
  H  H18  1  0.539988  1.044916  0.314846  1
  H  H19  1  0.011171  0.777740  0.304048  1
  H  H20  1  0.649246  0.805400  0.300496  1
  H  H21  1  0.670890  0.440654  0.303429  1
  H  H22  1  0.768155  0.620289  0.330005  1
  H  H23  1  0.312798  0.471081  0.299958  1
  H  H24  1  0.340192  0.608411  0.303747  1
  H  H25  1  0.436007  0.787493  0.330111  1
  H  H26  1  0.338145  0.109174  0.305309  1
  H  H27  1  0.432338  0.285916  0.329774  1
  H  H28  1  0.980596  0.638356  0.300310  1
  H  H29  1  0.980019  0.138735  0.300224  1
  H  H30  1  0.007373  0.275467  0.304052  1
  H  H31  1  0.099599  0.452634  0.329638  1
  H  H32  1  0.103261  0.951294  0.328321  1
  H  H33  1  0.643836  0.302567  0.299449  1
  H  H34  1  0.676717  0.943368  0.304764  1
  H  H35  1  0.551551  0.130337  0.276843  1
  H  H36  1  0.316873  0.972817  0.299371  1
  H  H37  1  0.448423  0.842343  0.372741  1
  H  H38  1  0.024891  0.831443  0.348173  1
  H  H39  1  0.899535  0.513330  0.318233  1
  H  H40  1  0.994082  0.694409  0.343759  1
  H  H41  1  0.689688  0.497187  0.347222  1
  H  H42  1  0.568853  0.681233  0.318628  1
  H  H43  1  0.662981  0.861385  0.343748  1
  H  H44  1  0.566995  0.183690  0.320426  1
  H  H45  1  0.657944  0.359213  0.343142  1
  H  H46  1  0.357901  0.664536  0.347468  1
  H  H47  1  0.355482  0.165093  0.348425  1
  H  H48  1  0.233039  0.347601  0.318677  1
  H  H49  1  0.325941  0.526826  0.343516  1
  H  H50  1  0.326111  1.026672  0.343730  1
  H  H51  1  0.022526  0.331085  0.347643  1
  H  H52  1  0.901823  1.016537  0.319751  1
  H  H53  1  0.990868  0.193609  0.343725  1
  H  H54  1  0.690578  0.999082  0.348470  1
  H  H55  1  0.221117  0.768011  0.357847  1
  H  H56  1  0.798056  0.758331  0.334186  1
  H  H57  1  0.884682  0.432945  0.357368  1
  H  H58  1  0.918317  0.570947  0.361578  1
  H  H59  1  0.461340  0.422977  0.333751  1
  H  H60  1  0.553023  0.600646  0.357731  1
  H  H61  1  0.586252  0.738542  0.361878  1
  H  H62  1  0.551350  0.100667  0.358107  1
  H  H63  1  0.583786  0.239288  0.362858  1
  H  H64  1  0.128999  0.589741  0.333807  1
  H  H65  1  0.128044  0.090723  0.334644  1
  H  H66  1  0.217693  0.267010  0.357893  1
  H  H67  1  0.250786  0.404629  0.361859  1
  H  H68  1  0.252118  0.905004  0.362131  1
  H  H69  1  0.794794  0.257253  0.334218  1
  H  H70  1  0.887888  0.933561  0.357489  1
  H  H71  1  0.765005  0.120137  0.329531  1
  H  H72  1  0.463867  0.924474  0.334391  1
  H  H73  1  0.601270  0.794412  0.404982  1
  H  H74  1  0.234895  0.823080  0.401027  1
  H  H75  1  0.112678  0.507645  0.372283  1
  H  H76  1  0.146095  0.646482  0.376263  1
  H  H77  1  0.899791  0.488658  0.400463  1
  H  H78  1  0.780885  0.675346  0.372581  1
  H  H79  1  0.813049  0.813514  0.376862  1
  H  H80  1  0.778124  0.174772  0.372540  1
  H  H81  1  0.811553  0.313277  0.376666  1
  H  H82  1  0.567548  0.656069  0.400743  1
  H  H83  1  0.565988  0.156257  0.401249  1
  H  H84  1  0.445209  0.341172  0.372391  1
  H  H85  1  0.478529  0.479608  0.376284  1
  H  H86  1  0.478550  0.980489  0.377006  1
  H  H87  1  0.232812  0.322529  0.400894  1
  H  H88  1  0.112610  1.007262  0.372035  1
  H  H89  1  0.144069  0.146962  0.377053  1
  H  H90  1  0.900754  0.989609  0.400888  1
  H  H91  1  0.373963  0.720343  0.390450  1
  H  H92  1  0.007908  0.749333  0.386782  1
  H  H93  1  0.039250  0.386739  0.390549  1
  H  H94  1  0.127695  0.563216  0.415049  1
  H  H95  1  0.672289  0.414958  0.386123  1
  H  H96  1  0.706522  0.553201  0.390250  1
  H  H97  1  0.795161  0.730412  0.415430  1
  H  H98  1  0.705341  1.054654  0.391393  1
  H  H99  1  0.793496  0.230307  0.415484  1
  H  H100  1  0.339892  0.582222  0.386369  1
  H  H101  1  0.338725  0.082359  0.386804  1
  H  H102  1  0.371895  0.220756  0.391144  1
  H  H103  1  0.460522  0.396680  0.415168  1
  H  H104  1  0.461762  0.897534  0.415602  1
  H  H105  1  0.005450  0.248855  0.386676  1
  H  H106  1  0.040489  0.887294  0.390954  1
  H  H107  1  0.916694  1.072896  0.362776  1
  H  H108  1  0.674474  0.916398  0.386800  1
  H  H109  1  0.810068  0.785848  0.458393  1
  H  H110  1  0.388819  0.775654  0.433579  1
  H  H111  1  0.266884  0.460704  0.404833  1
  H  H112  1  0.355382  0.637441  0.429427  1
  H  H113  1  0.054702  0.442193  0.433562  1
  H  H114  1  0.934100  0.627075  0.404674  1
  H  H115  1  0.022429  0.804650  0.429804  1
  H  H116  1  0.932702  0.128431  0.405641  1
  H  H117  1  0.021029  0.304195  0.429689  1
  H  H118  1  0.721747  0.608605  0.433383  1
  H  H119  1  0.720855  0.109827  0.434358  1
  H  H120  1  0.599846  0.294849  0.405400  1
  H  H121  1  0.688041  0.470404  0.429241  1
  H  H122  1  0.688658  0.971541  0.429937  1
  H  H123  1  0.387707  0.276115  0.434031  1
  H  H124  1  0.266822  0.961228  0.405192  1
  H  H125  1  0.354198  0.137843  0.429945  1
  H  H126  1  0.054962  0.942754  0.433961  1
  H  H127  1  0.582742  0.711469  0.443839  1
  H  H128  1  0.161493  0.701545  0.419268  1
  H  H129  1  0.248547  0.378048  0.443886  1
  H  H130  1  0.282140  0.516178  0.447875  1
  H  H131  1  0.827191  0.368518  0.419467  1
  H  H132  1  0.915602  0.544284  0.443574  1
  H  H133  1  0.949172  0.682645  0.447792  1
  H  H134  1  0.915512  1.045149  0.444165  1
  H  H135  1  0.948273  0.183659  0.448589  1
  H  H136  1  0.494218  0.534927  0.419205  1
  H  H137  1  0.493445  1.035717  0.419941  1
  H  H138  1  0.581645  0.211843  0.444255  1
  H  H139  1  0.615246  0.350026  0.448269  1
  H  H140  1  0.615898  0.849842  0.448064  1
  H  H141  1  0.160085  0.202192  0.419879  1
  H  H142  1  0.249497  0.878637  0.444143  1
  H  H143  1  0.127174  1.063461  0.415360  1
  H  H144  1  0.828240  0.868967  0.419566  1
  H  H145  1  0.964122  0.738113  0.490888  1
  H  H146  1  0.597804  0.766903  0.486910  1
  H  H147  1  0.476133  0.452011  0.458122  1
  H  H148  1  0.509578  0.590204  0.462245  1
  H  H149  1  0.264170  0.433427  0.486873  1
  H  H150  1  0.143183  0.618577  0.458080  1
  H  H151  1  0.176384  0.756926  0.462302  1
  H  H152  1  0.142484  0.119103  0.458581  1
  H  H153  1  0.175761  0.257506  0.462804  1
  H  H154  1  0.931142  0.599799  0.486646  1
  H  H155  1  0.930649  0.100633  0.487322  1
  H  H156  1  0.809136  0.285694  0.458463  1
  H  H157  1  0.842700  0.423730  0.462420  1
  H  H158  1  0.842830  0.924062  0.462642  1
  H  H159  1  0.597246  0.267223  0.487250  1
  H  H160  1  0.476494  0.952815  0.458666  1
  H  H161  1  0.508881  0.091050  0.462955  1
  H  H162  1  0.264299  0.934004  0.487259  1
  H  H163  1  0.736924  0.664070  0.476486  1
  H  H164  1  0.370586  0.692803  0.472489  1
  H  H165  1  0.403260  0.331418  0.476985  1
  H  H166  1  0.491695  0.507308  0.501098  1
  H  H167  1  0.036685  0.359550  0.472677  1
  H  H168  1  0.070168  0.497540  0.476602  1
  H  H169  1  0.158545  0.674072  0.501141  1
  H  H170  1  0.069778  0.998069  0.477076  1
  H  H171  1  0.157914  0.174657  0.501693  1
  H  H172  1  0.703682  0.525801  0.472304  1
  H  H173  1  0.703553  1.026828  0.473057  1
  H  H174  1  0.736328  0.165123  0.477328  1
  H  H175  1  0.824735  0.340998  0.501436  1
  H  H176  1  0.824922  0.841139  0.501470  1
  H  H177  1  0.369803  0.193312  0.473006  1
  H  H178  1  0.403501  0.830992  0.476681  1
  H  H179  1  0.281673  1.016712  0.448388  1
  H  H180  1  0.037273  0.859997  0.472866  1
  H  H181  1  0.173838  0.729565  0.544253  1
  H  H182  1  0.751957  0.719450  0.519585  1
  H  H183  1  0.630776  0.405280  0.491206  1
  H  H184  1  0.719183  0.581155  0.515314  1
  H  H185  1  0.418826  0.386728  0.519965  1
  H  H186  1  0.297596  0.571620  0.490948  1
  H  H187  1  0.385732  0.748209  0.515565  1
  H  H188  1  0.296966  1.072206  0.491501  1
  H  H189  1  0.385343  0.248738  0.516040  1
  H  H190  1  0.085708  0.552965  0.519636  1
  H  H191  1  0.084925  1.053475  0.520153  1
  H  H192  1  0.963815  0.238970  0.491544  1
  H  H193  1  0.052250  0.414860  0.515656  1
  H  H194  1  0.052010  0.915286  0.515961  1
  H  H195  1  0.751829  0.220477  0.520338  1
  H  H196  1  0.630589  0.905139  0.491172  1
  H  H197  1  0.718587  0.082208  0.516156  1
  H  H198  1  0.418238  0.886281  0.519776  1
  H  H199  1  0.946630  0.655228  0.529687  1
  H  H200  1  0.524861  0.645645  0.505320  1
  H  H201  1  0.612811  0.322547  0.530221  1
  H  H202  1  0.646374  0.460583  0.534178  1
  H  H203  1  0.191341  0.312851  0.505769  1
  H  H204  1  0.279750  0.488772  0.529838  1
  H  H205  1  0.313026  0.627175  0.534061  1
  H  H206  1  0.279127  0.989352  0.530340  1
  H  H207  1  0.312328  0.127700  0.534562  1
  H  H208  1  0.858265  0.479055  0.505392  1
  H  H209  1  0.857707  0.979375  0.505732  1
  H  H210  1  0.945933  0.156073  0.530397  1
  H  H211  1  0.979378  0.294266  0.534520  1
  H  H212  1  0.979017  0.793462  0.533976  1
  H  H213  1  0.524369  0.146479  0.505996  1
  H  H214  1  0.612680  0.822215  0.530000  1
  H  H215  1  0.491389  1.008165  0.501754  1
  H  H216  1  0.191212  0.812274  0.505382  1
  H  H217  1  0.328336  0.682817  0.577282  1
  H  H218  1  0.962066  0.710560  0.572701  1
  H  H219  1  0.840265  0.396252  0.544373  1
  H  H220  1  0.873866  0.534434  0.548387  1
  H  H221  1  0.628319  0.377760  0.573174  1
  H  H222  1  0.507238  0.562618  0.544053  1
  H  H223  1  0.539999  0.701129  0.548477  1
  H  H224  1  0.506339  1.063633  0.544850  1
  H  H225  1  0.539908  0.201994  0.549068  1
  H  H226  1  0.295425  0.544086  0.572762  1
  H  H227  1  0.294018  1.044733  0.573374  1
  H  H228  1  0.173371  0.230099  0.544767  1
  H  H229  1  0.206963  0.368230  0.548756  1
  H  H230  1  0.206013  0.867640  0.548499  1
  H  H231  1  0.961293  0.211351  0.573436  1
  H  H232  1  0.839612  0.896435  0.544577  1
  H  H233  1  0.872769  1.034809  0.548803  1
  H  H234  1  0.627271  0.877311  0.573075  1
  H  H235  1  0.101313  0.608435  0.562697  1
  H  H236  1  0.734656  0.636451  0.558284  1
  H  H237  1  0.767470  0.275874  0.563401  1
  H  H238  1  0.855664  0.451429  0.587241  1
  H  H239  1  0.400808  0.304085  0.559080  1
  H  H240  1  0.434482  0.442083  0.562953  1
  H  H241  1  0.522809  0.617847  0.587001  1
  H  H242  1  0.433081  0.941628  0.562837  1
  H  H243  1  0.521411  0.119203  0.587968  1
  H  H244  1  0.067804  0.470163  0.558610  1
  H  H245  1  0.066692  0.970623  0.559063  1
  H  H246  1  0.100129  0.108837  0.563215  1
  H  H247  1  0.188627  0.285573  0.587809  1
  H  H248  1  0.188689  0.785050  0.587450  1
  H  H249  1  0.733763  0.137673  0.559259  1
  H  H250  1  0.766853  0.774737  0.562705  1
  H  H251  1  0.645443  0.960430  0.534249  1
  H  H252  1  0.400549  0.803524  0.558681  1
  H  H253  1  0.538817  0.673382  0.629866  1
  H  H254  1  0.116786  0.663919  0.605838  1
  H  H255  1  0.994989  0.349598  0.577474  1
  H  H256  1  0.083616  0.525522  0.601498  1
  H  H257  1  0.783222  0.331319  0.606519  1
  H  H258  1  0.662015  0.515971  0.577158  1
  H  H259  1  0.750170  0.691624  0.601249  1
  H  H260  1  0.660350  1.015866  0.577212  1
  H  H261  1  0.748989  0.193077  0.602392  1
  H  H262  1  0.450061  0.497423  0.605966  1
  H  H263  1  0.447603  0.996945  0.605860  1
  H  H264  1  0.327816  0.183061  0.577593  1
  H  H265  1  0.416261  0.359538  0.602093  1
  H  H266  1  0.415022  0.858984  0.601687  1
  H  H267  1  0.115619  0.164056  0.606273  1
  H  H268  1  0.993749  0.848744  0.577040  1
  H  H269  1  0.081547  1.025934  0.602192  1
  H  H270  1  0.781037  0.829880  0.605842  1
  H  H271  1  0.311442  0.599315  0.615589  1
  H  H272  1  0.889523  0.590021  0.591393  1
  H  H273  1  0.976982  0.266670  0.616358  1
  H  H274  1  0.010302  0.405105  0.620251  1
  H  H275  1  0.555720  0.257620  0.592179  1
  H  H276  1  0.643957  0.433001  0.615975  1
  H  H277  1  0.677387  0.571506  0.620102  1
  H  H278  1  0.642462  0.932764  0.615780  1
  H  H279  1  0.674625  1.070932  0.620061  1
  H  H280  1  0.222698  0.423749  0.591747  1
  H  H281  1  0.220616  0.923198  0.591614  1
  H  H282  1  0.309416  0.099796  0.616379  1
  H  H283  1  0.342833  0.238633  0.620358  1
  H  H284  1  0.342901  0.739016  0.620607  1
  H  H285  1  0.887963  0.090209  0.591899  1
  H  H286  1  0.976960  0.765789  0.615636  1
  H  H287  1  0.854241  0.951866  0.587660  1
  H  H288  1  0.554757  0.756669  0.591754  1
  H  H289  1  0.690506  0.626141  0.663111  1
  H  H290  1  0.327467  0.655555  0.657998  1
  H  H291  1  0.204725  0.341649  0.630783  1
  H  H292  1  0.237818  0.479268  0.634749  1
  H  H293  1  0.994171  0.323301  0.658891  1
  H  H294  1  0.871725  0.506990  0.629784  1
  H  H295  1  0.904161  0.645611  0.634534  1
  H  H296  1  0.869259  1.007736  0.630764  1
  H  H297  1  0.902488  0.145632  0.634911  1
  H  H298  1  0.660717  0.489024  0.658424  1
  H  H299  1  0.657455  0.987947  0.658455  1
  H  H300  1  0.537194  0.175331  0.631064  1
  H  H301  1  0.570828  0.313333  0.635274  1
  H  H302  1  0.567623  0.812717  0.635153  1
  H  H303  1  0.326512  0.156537  0.658835  1
  H  H304  1  0.203393  0.841274  0.630510  1
  H  H305  1  0.234394  0.978266  0.634795  1
  H  H306  1  0.991644  0.821804  0.658251  1
  H  H307  1  0.464643  0.552669  0.648917  1
  H  H308  1  0.100029  0.581185  0.644217  1
  H  H309  1  0.129570  0.219451  0.649126  1
  H  H310  1  0.222472  0.398677  0.673964  1
  H  H311  1  0.765823  0.249091  0.645419  1
  H  H312  1  0.797567  0.387064  0.649500  1
  H  H313  1  0.888515  0.562587  0.672216  1
  H  H314  1  0.792530  0.884893  0.648894  1
  H  H315  1  0.886658  1.065045  0.674014  1
  H  H316  1  0.432985  0.415193  0.644999  1
  H  H317  1  0.430620  0.914834  0.644468  1
  H  H318  1  0.461429  1.051869  0.648882  1
  H  H319  1  0.555976  0.232948  0.674409  1
  H  H320  1  0.553688  0.729741  0.672891  1
  H  H321  1  0.097610  0.081742  0.645174  1
  H  H322  1  0.129399  0.719606  0.648912  1
  H  H323  1  0.007087  0.903935  0.619901  1
  H  H324  1  0.764933  0.747196  0.644172  1
  H  H325  1  0.903960  0.615941  0.715799  1
  H  H326  1  0.475492  0.607543  0.692418  1
  H  H327  1  0.355912  0.293644  0.663004  1
  H  H328  1  0.448138  0.470811  0.688590  1
  H  H329  1  0.142713  0.275196  0.692684  1
  H  H330  1  0.023173  0.460361  0.662868  1
  H  H331  1  0.117366  0.637104  0.687333  1
  H  H332  1  0.019504  0.958785  0.662531  1
  H  H333  1  0.115319  0.137867  0.688895  1
  H  H334  1  0.811675  0.443711  0.693193  1
  H  H335  1  0.806265  0.940878  0.692146  1
  H  H336  1  0.687356  0.125989  0.662637  1
  H  H337  1  0.784620  0.305624  0.689213  1
  H  H338  1  0.778794  0.802910  0.687878  1
  H  H339  1  0.474915  0.107922  0.692332  1
  H  H340  1  0.352249  0.794984  0.664321  1
  H  H341  1  0.444340  0.968538  0.688594  1
  H  H342  1  0.138638  0.773461  0.693270  1
  H  H343  1  0.675142  0.542363  0.702242  1
  H  H344  1  0.251328  0.534857  0.678018  1
  H  H345  1  0.345464  0.210495  0.702809  1
  H  H346  1  0.376523  0.347082  0.706731  1
  H  H347  1  0.917546  0.201431  0.678264  1
  H  H348  1  0.014586  0.378825  0.702870  1
  H  H349  1  0.045100  0.515102  0.706631  1
  H  H350  1  0.004148  0.875068  0.702264  1
  H  H351  1  0.040162  1.012651  0.706217  1
  H  H352  1  0.586303  0.369362  0.678732  1
  H  H353  1  0.575633  0.866720  0.679676  1
  H  H354  1  0.675187  1.042537  0.702208  1
  H  H355  1  0.709235  0.179742  0.706407  1
  H  H356  1  0.703369  0.681651  0.706650  1
  H  H357  1  0.249181  1.034655  0.678036  1
  H  H358  1  0.344172  0.709076  0.702227  1
  H  H359  1  0.218771  0.897112  0.674293  1
  H  H360  1  0.915523  0.701362  0.677796  1
