# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30285003
_cell_length_b   11.40375415
_cell_length_c   48.29325945
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   106.04246875
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H84
_cell_volume   3335.95773964
_cell_formula_units_Z   42
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  0.124246  0.748493  0.289465  1
  H  H2  1  0.277132  0.054265  0.310298  1
  H  H3  1  0.430019  0.360037  0.331131  1
  H  H4  1  0.580120  0.660240  0.283452  1
  H  H5  1  0.733006  0.966012  0.304285  1
  H  H6  1  0.885892  0.271784  0.325119  1
  H  H7  1  0.700689  0.901379  0.299881  1
  H  H8  1  0.853575  0.207151  0.320715  1
  H  H9  1  0.006462  0.512923  0.341548  1
  H  H10  1  0.156563  0.813126  0.293869  1
  H  H11  1  0.309449  0.118898  0.314702  1
  H  H12  1  0.462335  0.424670  0.335535  1
  H  H13  1  0.582905  0.665809  0.351965  1
  H  H14  1  0.735791  0.971581  0.372798  1
  H  H15  1  0.888677  0.277353  0.393631  1
  H  H16  1  0.038778  0.577556  0.345952  1
  H  H17  1  0.191664  0.883328  0.366785  1
  H  H18  1  0.344550  0.189101  0.387619  1
  H  H19  1  0.159348  0.818695  0.362381  1
  H  H20  1  0.312234  0.124467  0.383215  1
  H  H21  1  0.465120  0.430239  0.404048  1
  H  H22  1  0.615221  0.730442  0.356369  1
  H  H23  1  0.768107  0.036214  0.377202  1
  H  H24  1  0.920993  0.341987  0.398035  1
  H  H25  1  0.041563  0.583125  0.414465  1
  H  H26  1  0.194449  0.888898  0.435298  1
  H  H27  1  0.347335  0.194670  0.456131  1
  H  H28  1  0.497436  0.494873  0.408452  1
  H  H29  1  0.650322  0.800645  0.429285  1
  H  H30  1  0.803208  0.106417  0.450119  1
  H  H31  1  0.618006  0.736011  0.424881  1
  H  H32  1  0.770892  0.041784  0.445715  1
  H  H33  1  0.923778  0.347556  0.466548  1
  H  H34  1  0.073879  0.647759  0.418869  1
  H  H35  1  0.226765  0.953531  0.439702  1
  H  H36  1  0.379651  0.259303  0.460535  1
  H  H37  1  0.500221  0.500442  0.476965  1
  H  H38  1  0.653107  0.806214  0.497798  1
  H  H39  1  0.805993  0.111986  0.518631  1
  H  H40  1  0.956094  0.412189  0.470952  1
  H  H41  1  0.108981  0.717961  0.491785  1
  H  H42  1  0.261867  0.023733  0.512619  1
  H  H43  1  0.076664  0.653328  0.487381  1
  H  H44  1  0.229550  0.959100  0.508215  1
  H  H45  1  0.382436  0.264872  0.529048  1
  H  H46  1  0.532537  0.565075  0.481369  1
  H  H47  1  0.685424  0.870847  0.502202  1
  H  H48  1  0.838310  0.176619  0.523035  1
  H  H49  1  0.958879  0.417758  0.539465  1
  H  H50  1  0.111765  0.723530  0.560298  1
  H  H51  1  0.264651  0.029302  0.581131  1
  H  H52  1  0.414753  0.329505  0.533452  1
  H  H53  1  0.567639  0.635277  0.554285  1
  H  H54  1  0.720525  0.941049  0.575119  1
  H  H55  1  0.535322  0.570644  0.549881  1
  H  H56  1  0.688208  0.876416  0.570715  1
  H  H57  1  0.841094  0.182188  0.591548  1
  H  H58  1  0.991196  0.482391  0.543869  1
  H  H59  1  0.144082  0.788163  0.564702  1
  H  H60  1  0.296968  0.093935  0.585535  1
  H  H61  1  0.417537  0.335074  0.601965  1
  H  H62  1  0.570423  0.640846  0.622798  1
  H  H63  1  0.723309  0.946619  0.643631  1
  H  H64  1  0.873411  0.246822  0.595952  1
  H  H65  1  0.026297  0.552594  0.616785  1
  H  H66  1  0.179183  0.858366  0.637619  1
  H  H67  1  0.993980  0.487960  0.612381  1
  H  H68  1  0.146866  0.793733  0.633215  1
  H  H69  1  0.299752  0.099505  0.654048  1
  H  H70  1  0.449854  0.399708  0.606369  1
  H  H71  1  0.602740  0.705480  0.627202  1
  H  H72  1  0.755626  0.011252  0.648035  1
  H  H73  1  0.876195  0.252391  0.664465  1
  H  H74  1  0.029081  0.558163  0.685298  1
  H  H75  1  0.181967  0.863935  0.706131  1
  H  H76  1  0.332069  0.164138  0.658452  1
  H  H77  1  0.484955  0.469910  0.679285  1
  H  H78  1  0.637841  0.775682  0.700119  1
  H  H79  1  0.452638  0.405277  0.674881  1
  H  H80  1  0.605524  0.711049  0.695715  1
  H  H81  1  0.758410  0.016821  0.716548  1
  H  H82  1  0.908512  0.317024  0.668869  1
  H  H83  1  0.061398  0.622796  0.689702  1
  H  H84  1  0.214284  0.928568  0.710535  1
