# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95519798
_cell_length_b   5.78853379
_cell_length_c   47.35241635
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H80
_cell_volume   1599.34640682
_cell_formula_units_Z   40
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  0.623681  0.697512  0.286712  1
  H  H2  1  0.123681  0.197512  0.286712  1
  H  H3  1  0.010471  0.581049  0.306150  1
  H  H4  1  0.510471  0.081049  0.306150  1
  H  H5  1  0.373681  0.447512  0.286712  1
  H  H6  1  0.873681  0.947512  0.286712  1
  H  H7  1  0.760471  0.331049  0.306150  1
  H  H8  1  0.260471  0.831049  0.306150  1
  H  H9  1  0.470152  0.533342  0.332544  1
  H  H10  1  0.970152  0.033342  0.332544  1
  H  H11  1  0.865898  0.423600  0.351063  1
  H  H12  1  0.365898  0.923600  0.351063  1
  H  H13  1  0.220152  0.283342  0.332544  1
  H  H14  1  0.720152  0.783342  0.332544  1
  H  H15  1  0.615898  0.173600  0.351063  1
  H  H16  1  0.115898  0.673600  0.351063  1
  H  H17  1  0.325966  0.376758  0.377251  1
  H  H18  1  0.825966  0.876758  0.377251  1
  H  H19  1  0.721974  0.267324  0.396014  1
  H  H20  1  0.221974  0.767324  0.396014  1
  H  H21  1  0.075966  0.126758  0.377251  1
  H  H22  1  0.575966  0.626758  0.377251  1
  H  H23  1  0.471974  0.017324  0.396014  1
  H  H24  1  0.971974  0.517324  0.396014  1
  H  H25  1  0.179255  0.217259  0.422218  1
  H  H26  1  0.679255  0.717259  0.422218  1
  H  H27  1  0.576226  0.108627  0.441043  1
  H  H28  1  0.076226  0.608627  0.441043  1
  H  H29  1  0.929255  0.967259  0.422218  1
  H  H30  1  0.429255  0.467259  0.422218  1
  H  H31  1  0.326226  0.858627  0.441043  1
  H  H32  1  0.826226  0.358627  0.441043  1
  H  H33  1  0.033458  0.058584  0.467181  1
  H  H34  1  0.533458  0.558584  0.467181  1
  H  H35  1  0.430632  0.950125  0.486033  1
  H  H36  1  0.930632  0.450125  0.486033  1
  H  H37  1  0.783458  0.808584  0.467181  1
  H  H38  1  0.283458  0.308584  0.467181  1
  H  H39  1  0.180632  0.700125  0.486033  1
  H  H40  1  0.680632  0.200125  0.486033  1
  H  H41  1  0.887527  0.899684  0.512163  1
  H  H42  1  0.387527  0.399684  0.512163  1
  H  H43  1  0.284701  0.791226  0.531015  1
  H  H44  1  0.784701  0.291226  0.531015  1
  H  H45  1  0.637527  0.649684  0.512163  1
  H  H46  1  0.137527  0.149684  0.512163  1
  H  H47  1  0.034701  0.541226  0.531015  1
  H  H48  1  0.534701  0.041226  0.531015  1
  H  H49  1  0.741933  0.741182  0.557153  1
  H  H50  1  0.241933  0.241182  0.557153  1
  H  H51  1  0.138904  0.632551  0.575977  1
  H  H52  1  0.638904  0.132551  0.575977  1
  H  H53  1  0.491933  0.491182  0.557153  1
  H  H54  1  0.991933  0.991182  0.557153  1
  H  H55  1  0.888904  0.382551  0.575977  1
  H  H56  1  0.388904  0.882551  0.575977  1
  H  H57  1  0.596185  0.582486  0.602181  1
  H  H58  1  0.096185  0.082486  0.602181  1
  H  H59  1  0.992193  0.473052  0.620945  1
  H  H60  1  0.492193  0.973052  0.620945  1
  H  H61  1  0.346185  0.332486  0.602181  1
  H  H62  1  0.846185  0.832486  0.602181  1
  H  H63  1  0.742193  0.223052  0.620945  1
  H  H64  1  0.242193  0.723052  0.620945  1
  H  H65  1  0.452261  0.426209  0.647133  1
  H  H66  1  0.952261  0.926209  0.647133  1
  H  H67  1  0.848007  0.316467  0.665652  1
  H  H68  1  0.348007  0.816467  0.665652  1
  H  H69  1  0.202261  0.176209  0.647133  1
  H  H70  1  0.702261  0.676209  0.647133  1
  H  H71  1  0.598007  0.066467  0.665652  1
  H  H72  1  0.098007  0.566467  0.665652  1
  H  H73  1  0.307688  0.268760  0.692045  1
  H  H74  1  0.807688  0.768760  0.692045  1
  H  H75  1  0.694478  0.152298  0.711483  1
  H  H76  1  0.194478  0.652298  0.711483  1
  H  H77  1  0.057688  0.018760  0.692045  1
  H  H78  1  0.557688  0.518760  0.692045  1
  H  H79  1  0.444478  0.902298  0.711483  1
  H  H80  1  0.944478  0.402298  0.711483  1
