# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61217022
_cell_length_b   8.62744931
_cell_length_c   45.34825582
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.76656173
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H171
_cell_volume   2924.84613068
_cell_formula_units_Z   85
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  0.201195  0.797886  0.299835  1
  H  H2  1  0.871281  0.794491  0.292083  1
  H  H3  1  0.867861  0.464553  0.299835  1
  H  H4  1  0.541367  0.791095  0.284331  1
  H  H5  1  0.537948  0.461157  0.292083  1
  H  H6  1  0.534528  0.131220  0.299835  1
  H  H7  1  0.208034  0.457762  0.284331  1
  H  H8  1  0.204614  0.127824  0.292083  1
  H  H9  1  0.874701  0.124428  0.284331  1
  H  H10  1  0.191964  0.807053  0.320761  1
  H  H11  1  0.862050  0.803657  0.313009  1
  H  H12  1  0.858631  0.473719  0.320761  1
  H  H13  1  0.532136  0.800261  0.305257  1
  H  H14  1  0.528717  0.470324  0.313009  1
  H  H15  1  0.525297  0.140386  0.320761  1
  H  H16  1  0.198803  0.466928  0.305257  1
  H  H17  1  0.195384  0.136990  0.313009  1
  H  H18  1  0.865470  0.133595  0.305257  1
  H  H19  1  0.181042  0.817898  0.345520  1
  H  H20  1  0.851128  0.814503  0.337768  1
  H  H21  1  0.847708  0.484565  0.345520  1
  H  H22  1  0.521214  0.811107  0.330016  1
  H  H23  1  0.517795  0.481169  0.337768  1
  H  H24  1  0.514375  0.151232  0.345520  1
  H  H25  1  0.187881  0.477774  0.330016  1
  H  H26  1  0.184461  0.147836  0.337768  1
  H  H27  1  0.854548  0.144440  0.330016  1
  H  H28  1  0.171026  0.827844  0.368224  1
  H  H29  1  0.841113  0.824448  0.360472  1
  H  H30  1  0.837693  0.494510  0.368224  1
  H  H31  1  0.511199  0.821052  0.352720  1
  H  H32  1  0.507779  0.491115  0.360472  1
  H  H33  1  0.504360  0.161177  0.368224  1
  H  H34  1  0.177866  0.487719  0.352720  1
  H  H35  1  0.174446  0.157781  0.360472  1
  H  H36  1  0.844532  0.154386  0.352720  1
  H  H37  1  0.160638  0.838160  0.391774  1
  H  H38  1  0.830724  0.834764  0.384022  1
  H  H39  1  0.827304  0.504827  0.391774  1
  H  H40  1  0.500810  0.831368  0.376270  1
  H  H41  1  0.497390  0.501431  0.384022  1
  H  H42  1  0.493971  0.171493  0.391774  1
  H  H43  1  0.167477  0.498035  0.376270  1
  H  H44  1  0.164057  0.168097  0.384022  1
  H  H45  1  0.834143  0.164702  0.376270  1
  H  H46  1  0.150428  0.848297  0.414917  1
  H  H47  1  0.820515  0.844902  0.407165  1
  H  H48  1  0.817095  0.514964  0.414917  1
  H  H49  1  0.490601  0.841506  0.399413  1
  H  H50  1  0.487181  0.511568  0.407165  1
  H  H51  1  0.483762  0.181631  0.414917  1
  H  H52  1  0.157268  0.508173  0.399413  1
  H  H53  1  0.153848  0.178235  0.407165  1
  H  H54  1  0.823934  0.174839  0.399413  1
  H  H55  1  0.140138  0.858516  0.438245  1
  H  H56  1  0.810224  0.855120  0.430493  1
  H  H57  1  0.806805  0.525183  0.438245  1
  H  H58  1  0.480310  0.851725  0.422741  1
  H  H59  1  0.476891  0.521787  0.430493  1
  H  H60  1  0.473471  0.191849  0.438245  1
  H  H61  1  0.146977  0.518391  0.422741  1
  H  H62  1  0.143558  0.188454  0.430493  1
  H  H63  1  0.813644  0.185058  0.422741  1
  H  H64  1  0.129885  0.868697  0.461487  1
  H  H65  1  0.799971  0.865301  0.453735  1
  H  H66  1  0.796552  0.535364  0.461487  1
  H  H67  1  0.470058  0.861906  0.445983  1
  H  H68  1  0.466638  0.531968  0.453735  1
  H  H69  1  0.463219  0.202030  0.461487  1
  H  H70  1  0.136724  0.528572  0.445983  1
  H  H71  1  0.133305  0.198635  0.453735  1
  H  H72  1  0.803391  0.195239  0.445983  1
  H  H73  1  0.119616  0.878895  0.484767  1
  H  H74  1  0.789702  0.875499  0.477015  1
  H  H75  1  0.786282  0.545561  0.484767  1
  H  H76  1  0.459788  0.872103  0.469263  1
  H  H77  1  0.456369  0.542166  0.477015  1
  H  H78  1  0.452949  0.212228  0.484767  1
  H  H79  1  0.126455  0.538770  0.469263  1
  H  H80  1  0.123035  0.208832  0.477015  1
  H  H81  1  0.793122  0.205437  0.469263  1
  H  H82  1  0.109353  0.889086  0.508032  1
  H  H83  1  0.779439  0.885690  0.500280  1
  H  H84  1  0.776019  0.555753  0.508032  1
  H  H85  1  0.449525  0.882295  0.492528  1
  H  H86  1  0.446105  0.552357  0.500280  1
  H  H87  1  0.442686  0.222419  0.508032  1
  H  H88  1  0.116192  0.548961  0.492528  1
  H  H89  1  0.112772  0.219024  0.500280  1
  H  H90  1  0.782858  0.215628  0.492528  1
  H  H91  1  0.099089  0.899277  0.531298  1
  H  H92  1  0.769176  0.895882  0.523546  1
  H  H93  1  0.765756  0.565944  0.531298  1
  H  H94  1  0.439262  0.892486  0.515794  1
  H  H95  1  0.435842  0.562548  0.523546  1
  H  H96  1  0.432423  0.232611  0.531298  1
  H  H97  1  0.105929  0.559153  0.515794  1
  H  H98  1  0.102509  0.229215  0.523546  1
  H  H99  1  0.772595  0.225819  0.515794  1
  H  H100  1  0.088820  0.909475  0.554578  1
  H  H101  1  0.758906  0.906079  0.546826  1
  H  H102  1  0.755487  0.576142  0.554578  1
  H  H103  1  0.428992  0.902684  0.539074  1
  H  H104  1  0.425573  0.572746  0.546826  1
  H  H105  1  0.422153  0.242808  0.554578  1
  H  H106  1  0.095659  0.569350  0.539074  1
  H  H107  1  0.092240  0.239413  0.546826  1
  H  H108  1  0.762326  0.236017  0.539074  1
  H  H109  1  0.078567  0.919656  0.577819  1
  H  H110  1  0.748653  0.916260  0.570068  1
  H  H111  1  0.745234  0.586323  0.577819  1
  H  H112  1  0.418740  0.912865  0.562316  1
  H  H113  1  0.415320  0.582927  0.570068  1
  H  H114  1  0.411901  0.252989  0.577819  1
  H  H115  1  0.085406  0.579531  0.562316  1
  H  H116  1  0.081987  0.249594  0.570068  1
  H  H117  1  0.752073  0.246198  0.562316  1
  H  H118  1  0.068277  0.929875  0.601147  1
  H  H119  1  0.738363  0.926479  0.593395  1
  H  H120  1  0.734943  0.596541  0.601147  1
  H  H121  1  0.408449  0.923083  0.585643  1
  H  H122  1  0.405030  0.593146  0.593395  1
  H  H123  1  0.401610  0.263208  0.601147  1
  H  H124  1  0.075116  0.589750  0.585643  1
  H  H125  1  0.071696  0.259812  0.593395  1
  H  H126  1  0.741783  0.256417  0.585643  1
  H  H127  1  0.058068  0.940012  0.624290  1
  H  H128  1  0.728154  0.936616  0.616538  1
  H  H129  1  0.724734  0.606679  0.624290  1
  H  H130  1  0.398240  0.933221  0.608786  1
  H  H131  1  0.394821  0.603283  0.616538  1
  H  H132  1  0.391401  0.273346  0.624290  1
  H  H133  1  0.064907  0.599887  0.608786  1
  H  H134  1  0.061487  0.269950  0.616538  1
  H  H135  1  0.731573  0.266554  0.608786  1
  H  H136  1  0.047679  0.950328  0.647841  1
  H  H137  1  0.717765  0.946933  0.640089  1
  H  H138  1  0.714345  0.616995  0.647841  1
  H  H139  1  0.387851  0.943537  0.632337  1
  H  H140  1  0.384432  0.613599  0.640089  1
  H  H141  1  0.381012  0.283662  0.647841  1
  H  H142  1  0.054518  0.610204  0.632337  1
  H  H143  1  0.051098  0.280266  0.640089  1
  H  H144  1  0.721185  0.276870  0.632337  1
  H  H145  1  0.037663  0.960274  0.670544  1
  H  H146  1  0.707750  0.956878  0.662792  1
  H  H147  1  0.704330  0.626940  0.670544  1
  H  H148  1  0.377836  0.953482  0.655041  1
  H  H149  1  0.374416  0.623545  0.662792  1
  H  H150  1  0.370997  0.293607  0.670544  1
  H  H151  1  0.044503  0.620149  0.655041  1
  H  H152  1  0.041083  0.290211  0.662792  1
  H  H153  1  0.711169  0.286816  0.655041  1
  H  H154  1  0.026741  0.971119  0.695304  1
  H  H155  1  0.696827  0.967724  0.687552  1
  H  H156  1  0.693408  0.637786  0.695304  1
  H  H157  1  0.366914  0.964328  0.679800  1
  H  H158  1  0.363494  0.634390  0.687552  1
  H  H159  1  0.360075  0.304453  0.695304  1
  H  H160  1  0.033580  0.630995  0.679800  1
  H  H161  1  0.030161  0.301057  0.687552  1
  H  H162  1  0.700247  0.297661  0.679800  1
  H  H163  1  0.017510  0.980286  0.716230  1
  H  H164  1  0.687597  0.976890  0.708478  1
  H  H165  1  0.684177  0.646952  0.716230  1
  H  H166  1  0.357683  0.973494  0.700726  1
  H  H167  1  0.354263  0.643557  0.708478  1
  H  H168  1  0.350844  0.313619  0.716230  1
  H  H169  1  0.024350  0.640161  0.700726  1
  H  H170  1  0.020930  0.310223  0.708478  1
  H  H171  1  0.691016  0.306828  0.700726  1
