# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.22573666
_cell_length_b   22.82715728
_cell_length_c   49.17784536
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H120
_cell_volume   2498.59063186
_cell_formula_units_Z   60
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  0.747857  0.869683  0.293799  1
  H  H2  1  0.747857  0.211954  0.278984  1
  H  H3  1  0.747857  0.554082  0.264581  1
  H  H4  1  0.247857  0.622064  0.293830  1
  H  H5  1  0.247857  0.958086  0.278625  1
  H  H6  1  0.247857  0.281927  0.307843  1
  H  H7  1  0.747857  0.710855  0.278634  1
  H  H8  1  0.747857  0.029877  0.307478  1
  H  H9  1  0.747857  0.372514  0.293005  1
  H  H10  1  0.247857  0.801626  0.264475  1
  H  H11  1  0.247857  0.120596  0.292976  1
  H  H12  1  0.247857  0.463952  0.278927  1
  H  H13  1  0.747857  0.849053  0.338424  1
  H  H14  1  0.747857  0.190070  0.323498  1
  H  H15  1  0.747857  0.531479  0.309354  1
  H  H16  1  0.247857  0.600107  0.338553  1
  H  H17  1  0.247857  0.939178  0.323628  1
  H  H18  1  0.247857  0.259701  0.352593  1
  H  H19  1  0.747857  0.690220  0.323779  1
  H  H20  1  0.747857  1.009086  0.352498  1
  H  H21  1  0.747857  0.350513  0.337990  1
  H  H22  1  0.247857  0.779566  0.309206  1
  H  H23  1  0.247857  0.099419  0.337793  1
  H  H24  1  0.247857  0.441058  0.323576  1
  H  H25  1  0.747857  0.827944  0.382993  1
  H  H26  1  0.747857  0.168640  0.367651  1
  H  H27  1  0.747857  0.509382  0.353491  1
  H  H28  1  0.247857  0.578100  0.383142  1
  H  H29  1  0.247857  0.918457  0.367949  1
  H  H30  1  0.247857  0.237767  0.397295  1
  H  H31  1  0.747857  0.668480  0.368314  1
  H  H32  1  0.747857  0.987705  0.397311  1
  H  H33  1  0.747857  0.328222  0.382549  1
  H  H34  1  0.247857  0.758773  0.353509  1
  H  H35  1  0.247857  0.077999  0.382345  1
  H  H36  1  0.247857  0.418741  0.367982  1
  H  H37  1  0.747857  0.806457  0.427531  1
  H  H38  1  0.747857  0.147122  0.412173  1
  H  H39  1  0.747857  0.487466  0.397930  1
  H  H40  1  0.247857  0.556320  0.427701  1
  H  H41  1  0.247857  0.897112  0.412489  1
  H  H42  1  0.247857  0.216112  0.441956  1
  H  H43  1  0.747857  0.646856  0.412872  1
  H  H44  1  0.747857  0.966184  0.441987  1
  H  H45  1  0.747857  0.306532  0.427209  1
  H  H46  1  0.247857  0.737373  0.397997  1
  H  H47  1  0.247857  0.056655  0.427013  1
  H  H48  1  0.247857  0.396937  0.412549  1
  H  H49  1  0.747857  0.784836  0.472064  1
  H  H50  1  0.747857  0.125626  0.456778  1
  H  H51  1  0.747857  0.465769  0.442465  1
  H  H52  1  0.247857  0.534666  0.472269  1
  H  H53  1  0.247857  0.875540  0.457041  1
  H  H54  1  0.247857  0.194549  0.486588  1
  H  H55  1  0.747857  0.625203  0.457425  1
  H  H56  1  0.747857  0.944570  0.486581  1
  H  H57  1  0.747857  0.284953  0.471855  1
  H  H58  1  0.247857  0.715797  0.442517  1
  H  H59  1  0.247857  0.035136  0.471639  1
  H  H60  1  0.247857  0.375328  0.457159  1
  H  H61  1  0.747857  0.763191  0.516605  1
  H  H62  1  0.747857  0.104065  0.501377  1
  H  H63  1  0.747857  0.444181  0.487058  1
  H  H64  1  0.247857  0.513104  0.516868  1
  H  H65  1  0.247857  0.853895  0.501582  1
  H  H66  1  0.247857  0.172962  0.531181  1
  H  H67  1  0.747857  0.603594  0.502007  1
  H  H68  1  0.747857  0.922933  0.531130  1
  H  H69  1  0.747857  0.263403  0.516488  1
  H  H70  1  0.247857  0.694160  0.487065  1
  H  H71  1  0.247857  1.013527  0.516221  1
  H  H72  1  0.247857  0.353778  0.501791  1
  H  H73  1  0.747857  0.741619  0.561158  1
  H  H74  1  0.747857  0.082411  0.545946  1
  H  H75  1  0.747857  0.422619  0.531690  1
  H  H76  1  0.247857  0.491608  0.561473  1
  H  H77  1  0.247857  0.832273  0.546115  1
  H  H78  1  0.247857  0.151264  0.575716  1
  H  H79  1  0.747857  0.582076  0.546634  1
  H  H80  1  0.747857  0.901357  0.575649  1
  H  H81  1  0.747857  0.241794  0.561097  1
  H  H82  1  0.247857  0.672546  0.531660  1
  H  H83  1  0.247857  0.991875  0.560774  1
  H  H84  1  0.247857  0.332198  0.546437  1
  H  H85  1  0.747857  0.720273  0.605697  1
  H  H86  1  0.747857  0.060630  0.590504  1
  H  H87  1  0.747857  0.400963  0.576351  1
  H  H88  1  0.247857  0.470091  0.605995  1
  H  H89  1  0.247857  0.810786  0.590653  1
  H  H90  1  0.247857  0.129349  0.620155  1
  H  H91  1  0.747857  0.560731  0.591301  1
  H  H92  1  0.747857  0.879957  0.620137  1
  H  H93  1  0.747857  0.219990  0.605665  1
  H  H94  1  0.247857  0.651025  0.576335  1
  H  H95  1  0.247857  0.970251  0.605332  1
  H  H96  1  0.247857  0.310508  0.591097  1
  H  H97  1  0.747857  0.699553  0.650019  1
  H  H98  1  0.747857  0.038623  0.635093  1
  H  H99  1  0.747857  0.379029  0.621053  1
  H  H100  1  0.247857  0.448660  0.650148  1
  H  H101  1  0.247857  0.789677  0.635223  1
  H  H102  1  0.247857  0.107251  0.664293  1
  H  H103  1  0.747857  0.539312  0.635854  1
  H  H104  1  0.747857  0.859165  0.664440  1
  H  H105  1  0.747857  0.197672  0.650070  1
  H  H106  1  0.247857  0.629645  0.621148  1
  H  H107  1  0.247857  0.948510  0.649867  1
  H  H108  1  0.247857  0.288217  0.635657  1
  H  H109  1  0.747857  0.680644  0.695021  1
  H  H110  1  0.747857  0.016666  0.679816  1
  H  H111  1  0.747857  0.356803  0.665804  1
  H  H112  1  0.247857  0.426776  0.694663  1
  H  H113  1  0.247857  0.769047  0.679847  1
  H  H114  1  0.247857  0.084649  0.709066  1
  H  H115  1  0.747857  0.518134  0.680670  1
  H  H116  1  0.747857  0.837104  0.709171  1
  H  H117  1  0.747857  0.174778  0.694719  1
  H  H118  1  0.247857  0.608854  0.666168  1
  H  H119  1  0.247857  0.927875  0.695012  1
  H  H120  1  0.247857  0.266216  0.680641  1
