# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.34465249
_cell_length_b   16.52040749
_cell_length_c   58.22616651
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.21579876
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H104
_cell_volume   2243.88499634
_cell_formula_units_Z   52
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  0.267741  0.412403  0.193730  1
  H  H2  1  0.220222  0.911050  0.203701  1
  H  H3  1  0.660683  0.041281  0.199254  1
  H  H4  1  0.645528  0.528183  0.209581  1
  H  H5  1  0.449885  0.171002  0.182389  1
  H  H6  1  1.067966  0.657676  0.206124  1
  H  H7  1  0.838192  0.285248  0.198104  1
  H  H8  1  0.441313  0.775617  0.219813  1
  H  H9  1  0.817274  0.390299  0.227465  1
  H  H10  1  0.787242  0.886120  0.237812  1
  H  H11  1  0.213615  0.013692  0.233057  1
  H  H12  1  1.188667  0.503329  0.243278  1
  H  H13  1  1.015825  0.151898  0.216881  1
  H  H14  1  0.613855  0.631154  0.239453  1
  H  H15  1  0.387429  0.263956  0.231882  1
  H  H16  1  0.984848  0.745653  0.253528  1
  H  H17  1  0.371579  0.365207  0.260689  1
  H  H18  1  0.341124  0.856693  0.270589  1
  H  H19  1  0.768881  -0.014106  0.266540  1
  H  H20  1  0.737229  0.478019  0.276525  1
  H  H21  1  0.574054  0.124206  0.249695  1
  H  H22  1  1.166734  0.605644  0.272499  1
  H  H23  1  0.939055  0.236843  0.264783  1
  H  H24  1  0.533784  0.718949  0.287177  1
  H  H25  1  0.923615  0.338724  0.293863  1
  H  H26  1  0.892399  0.830597  0.303668  1
  H  H27  1  0.321176  0.958737  0.299813  1
  H  H28  1  0.289066  0.451752  0.309835  1
  H  H29  1  1.128930  0.097540  0.282692  1
  H  H30  1  0.720205  0.579817  0.305727  1
  H  H31  1  0.492278  0.210428  0.297958  1
  H  H32  1  1.084759  0.692800  0.320738  1
  H  H33  1  0.477393  0.312425  0.327087  1
  H  H34  1  0.444509  0.804777  0.336897  1
  H  H35  1  0.875257  0.932640  0.333124  1
  H  H36  1  0.841958  0.425509  0.343138  1
  H  H37  1  0.682618  0.071038  0.315841  1
  H  H38  1  0.273586  0.553721  0.338992  1
  H  H39  1  1.045534  0.184029  0.331176  1
  H  H40  1  0.636951  0.666631  0.354182  1
  H  H41  1  1.030894  0.286225  0.360320  1
  H  H42  1  0.997262  0.778804  0.370192  1
  H  H43  1  0.428779  0.906603  0.366432  1
  H  H44  1  0.395014  0.399338  0.376421  1
  H  H45  1  0.236200  0.044986  0.349084  1
  H  H46  1  0.826901  0.527615  0.372274  1
  H  H47  1  0.598838  0.157901  0.364431  1
  H  H48  1  0.189735  0.640518  0.387560  1
  H  H49  1  0.584212  0.260132  0.393572  1
  H  H50  1  0.550331  0.752801  0.403513  1
  H  H51  1  0.982064  0.880580  0.399748  1
  H  H52  1  0.948183  0.373249  0.409689  1
  H  H53  1  0.789545  0.018933  0.382371  1
  H  H54  1  0.380218  0.501544  0.405556  1
  H  H55  1  1.152177  0.131837  0.397705  1
  H  H56  1  0.742850  0.614448  0.420891  1
  H  H57  1  1.137381  0.234043  0.426841  1
  H  H58  1  1.103615  0.726778  0.436829  1
  H  H59  1  0.535133  0.854577  0.433069  1
  H  H60  1  0.501501  0.347156  0.442942  1
  H  H61  1  0.342660  -0.007137  0.415701  1
  H  H62  1  0.933556  0.475479  0.438831  1
  H  H63  1  0.705494  0.105765  0.430987  1
  H  H64  1  0.296194  0.588395  0.454177  1
  H  H65  1  0.690437  0.207871  0.460124  1
  H  H66  1  0.657137  0.700741  0.470137  1
  H  H67  1  1.087886  0.828603  0.466364  1
  H  H68  1  1.055002  0.320955  0.476174  1
  H  H69  1  0.895444  0.966750  0.449079  1
  H  H70  1  0.486861  0.449352  0.472086  1
  H  H71  1  0.258809  0.079660  0.464269  1
  H  H72  1  0.849777  0.562342  0.487421  1
  H  H73  1  0.243329  0.181629  0.493426  1
  H  H74  1  0.211219  0.674644  0.503449  1
  H  H75  1  0.639996  0.802784  0.499593  1
  H  H76  1  0.608780  0.294657  0.509398  1
  H  H77  1  0.447636  0.940581  0.482524  1
  H  H78  1  1.040117  0.422953  0.505303  1
  H  H79  1  0.812190  0.053564  0.497534  1
  H  H80  1  0.403465  0.535841  0.520569  1
  H  H81  1  0.795166  0.155362  0.526737  1
  H  H82  1  0.763514  0.647487  0.536721  1
  H  H83  1  0.191271  0.776688  0.532672  1
  H  H84  1  1.160815  0.268174  0.542573  1
  H  H85  1  0.998611  0.914431  0.516084  1
  H  H86  1  0.593340  0.396538  0.538479  1
  H  H87  1  0.365661  0.027737  0.530763  1
  H  H88  1  0.958341  0.509175  0.553566  1
  H  H89  1  0.343728  0.130052  0.559983  1
  H  H90  1  0.318780  0.619688  0.570204  1
  H  H91  1  0.745153  0.747260  0.565450  1
  H  H92  1  0.715121  0.243082  0.575796  1
  H  H93  1  0.547547  0.887727  0.549734  1
  H  H94  1  1.144966  0.369425  0.571379  1
  H  H95  1  0.918539  0.002226  0.563809  1
  H  H96  1  0.516570  0.481483  0.586381  1
  H  H97  1  0.886866  0.105198  0.593680  1
  H  H98  1  0.871711  0.592100  0.604007  1
  H  H99  1  0.312173  0.722330  0.599561  1
  H  H100  1  0.264654  0.220977  0.609532  1
  H  H101  1  1.091082  0.857764  0.583448  1
  H  H102  1  0.694203  0.348132  0.605157  1
  H  H103  1  0.464429  -0.024295  0.597137  1
  H  H104  1  1.082510  0.462378  0.620872  1
