# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84023162
_cell_length_b   12.85534787
_cell_length_c   47.50476881
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.14888796
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H108
_cell_volume   2903.03057626
_cell_formula_units_Z   54
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  0.836670  0.826660  0.276492  1
  H  H2  1  0.676127  0.147745  0.293159  1
  H  H3  1  0.515585  0.468831  0.309825  1
  H  H4  1  0.704874  0.090252  0.290175  1
  H  H5  1  0.544331  0.411338  0.306841  1
  H  H6  1  0.383788  0.732423  0.323508  1
  H  H7  1  0.256399  0.987202  0.284825  1
  H  H8  1  0.095856  0.308288  0.301492  1
  H  H9  1  0.935313  0.629374  0.318159  1
  H  H10  1  0.285145  0.929709  0.281841  1
  H  H11  1  0.124603  0.250795  0.298508  1
  H  H12  1  0.964060  0.571880  0.315175  1
  H  H13  1  0.355042  0.789916  0.326492  1
  H  H14  1  0.194499  0.111002  0.343159  1
  H  H15  1  0.033956  0.432088  0.359825  1
  H  H16  1  0.223246  0.053509  0.340175  1
  H  H17  1  0.062703  0.374595  0.356841  1
  H  H18  1  0.902160  0.695680  0.373508  1
  H  H19  1  0.774770  0.950459  0.334825  1
  H  H20  1  0.614228  0.271545  0.351492  1
  H  H21  1  0.453685  0.592631  0.368159  1
  H  H22  1  0.803517  0.892966  0.331841  1
  H  H23  1  0.642974  0.214052  0.348508  1
  H  H24  1  0.482431  0.535137  0.365175  1
  H  H25  1  0.873413  0.753173  0.376492  1
  H  H26  1  0.712871  0.074259  0.393159  1
  H  H27  1  0.552328  0.395345  0.409825  1
  H  H28  1  0.741617  0.016766  0.390175  1
  H  H29  1  0.581074  0.337851  0.406841  1
  H  H30  1  0.420531  0.658937  0.423508  1
  H  H31  1  0.293142  0.913716  0.384825  1
  H  H32  1  0.132599  0.234802  0.401492  1
  H  H33  1  0.972056  0.555887  0.418159  1
  H  H34  1  0.321889  0.856223  0.381841  1
  H  H35  1  0.161346  0.177309  0.398508  1
  H  H36  1  0.000803  0.498394  0.415175  1
  H  H37  1  0.391785  0.716430  0.426492  1
  H  H38  1  0.231242  0.037516  0.443159  1
  H  H39  1  0.070699  0.358602  0.459825  1
  H  H40  1  0.259989  0.980023  0.440175  1
  H  H41  1  0.099446  0.301108  0.456841  1
  H  H42  1  0.938903  0.622194  0.473508  1
  H  H43  1  0.811513  0.876973  0.434825  1
  H  H44  1  0.650971  0.198059  0.451492  1
  H  H45  1  0.490428  0.519144  0.468159  1
  H  H46  1  0.840260  0.819480  0.431841  1
  H  H47  1  0.679717  0.140566  0.448508  1
  H  H48  1  0.519174  0.461651  0.465175  1
  H  H49  1  0.910156  0.679687  0.476492  1
  H  H50  1  0.749614  0.000773  0.493159  1
  H  H51  1  0.589071  0.321858  0.509825  1
  H  H52  1  0.778360  0.943280  0.490175  1
  H  H53  1  0.617817  0.264365  0.506841  1
  H  H54  1  0.457275  0.585451  0.523508  1
  H  H55  1  0.329885  0.840230  0.484825  1
  H  H56  1  0.169342  0.161316  0.501492  1
  H  H57  1  0.008799  0.482401  0.518159  1
  H  H58  1  0.358632  0.782737  0.481841  1
  H  H59  1  0.198089  0.103822  0.498508  1
  H  H60  1  0.037546  0.424908  0.515175  1
  H  H61  1  0.428528  0.642944  0.526492  1
  H  H62  1  0.267985  0.964030  0.543159  1
  H  H63  1  0.107442  0.285115  0.559825  1
  H  H64  1  0.296732  0.906537  0.540175  1
  H  H65  1  0.136189  0.227622  0.556841  1
  H  H66  1  0.975646  0.548708  0.573508  1
  H  H67  1  0.848257  0.803487  0.534825  1
  H  H68  1  0.687714  0.124572  0.551492  1
  H  H69  1  0.527171  0.445658  0.568159  1
  H  H70  1  0.877003  0.745994  0.531841  1
  H  H71  1  0.716460  0.067079  0.548508  1
  H  H72  1  0.555918  0.388165  0.565175  1
  H  H73  1  0.946900  0.606201  0.576492  1
  H  H74  1  0.786357  0.927287  0.593159  1
  H  H75  1  0.625814  0.248372  0.609825  1
  H  H76  1  0.815103  0.869793  0.590175  1
  H  H77  1  0.654560  0.190879  0.606841  1
  H  H78  1  0.494018  0.511965  0.623508  1
  H  H79  1  0.366628  0.766744  0.584825  1
  H  H80  1  0.206085  0.087829  0.601492  1
  H  H81  1  0.045542  0.408915  0.618159  1
  H  H82  1  0.395375  0.709251  0.581841  1
  H  H83  1  0.234832  0.030336  0.598508  1
  H  H84  1  0.074289  0.351422  0.615175  1
  H  H85  1  0.465271  0.569458  0.626492  1
  H  H86  1  0.304728  0.890543  0.643159  1
  H  H87  1  0.144185  0.211629  0.659825  1
  H  H88  1  0.333475  0.833050  0.640175  1
  H  H89  1  0.172932  0.154136  0.656841  1
  H  H90  1  0.012389  0.475222  0.673508  1
  H  H91  1  0.885000  0.730001  0.634825  1
  H  H92  1  0.724457  0.051086  0.651492  1
  H  H93  1  0.563914  0.372172  0.668159  1
  H  H94  1  0.913746  0.672507  0.631841  1
  H  H95  1  0.753203  0.993593  0.648508  1
  H  H96  1  0.592661  0.314679  0.665175  1
  H  H97  1  0.983643  0.532715  0.676492  1
  H  H98  1  0.823100  0.853800  0.693159  1
  H  H99  1  0.662557  0.174886  0.709825  1
  H  H100  1  0.851846  0.796307  0.690175  1
  H  H101  1  0.691304  0.117393  0.706841  1
  H  H102  1  0.530761  0.438478  0.723508  1
  H  H103  1  0.403371  0.693258  0.684825  1
  H  H104  1  0.242828  0.014343  0.701492  1
  H  H105  1  0.082286  0.335429  0.718159  1
  H  H106  1  0.432118  0.635764  0.681841  1
  H  H107  1  0.271575  0.956850  0.698508  1
  H  H108  1  0.111032  0.277936  0.715175  1
