# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85378036
_cell_length_b   7.64715039
_cell_length_c   45.35776319
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.04380390
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H57
_cell_volume   974.948507659
_cell_formula_units_Z   28
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  0.886615  0.244731  0.284331  1
  H  H2  1  0.213760  0.591422  0.299834  1
  H  H3  1  0.550187  0.918076  0.292083  1
  H  H4  1  0.878262  0.262759  0.305257  1
  H  H5  1  0.205407  0.609450  0.320760  1
  H  H6  1  0.541835  0.936104  0.313009  1
  H  H7  1  0.868379  0.284091  0.330016  1
  H  H8  1  0.195524  0.630781  0.345520  1
  H  H9  1  0.531952  0.957436  0.337768  1
  H  H10  1  0.859317  0.303651  0.352720  1
  H  H11  1  0.186462  0.650342  0.368224  1
  H  H12  1  0.522889  0.976997  0.360472  1
  H  H13  1  0.849916  0.323941  0.376270  1
  H  H14  1  0.177061  0.670632  0.391774  1
  H  H15  1  0.513489  0.997287  0.384022  1
  H  H16  1  0.840679  0.343880  0.399413  1
  H  H17  1  0.167823  0.690571  0.414917  1
  H  H18  1  0.504251  0.017226  0.407165  1
  H  H19  1  0.831367  0.363978  0.422741  1
  H  H20  1  0.158512  0.710669  0.438245  1
  H  H21  1  0.494940  0.037324  0.430493  1
  H  H22  1  0.822090  0.384002  0.445983  1
  H  H23  1  0.149235  0.730693  0.461486  1
  H  H24  1  0.485662  0.057348  0.453735  1
  H  H25  1  0.812797  0.404059  0.469263  1
  H  H26  1  0.139942  0.750750  0.484767  1
  H  H27  1  0.476370  0.077405  0.477015  1
  H  H28  1  0.803511  0.424104  0.492528  1
  H  H29  1  0.130655  0.770795  0.508032  1
  H  H30  1  0.467083  0.097449  0.500280  1
  H  H31  1  0.794224  0.444148  0.515793  1
  H  H32  1  0.121369  0.790839  0.531297  1
  H  H33  1  0.457796  0.117494  0.523545  1
  H  H34  1  0.784931  0.464205  0.539074  1
  H  H35  1  0.112076  0.810896  0.554577  1
  H  H36  1  0.448504  0.137551  0.546825  1
  H  H37  1  0.775654  0.484229  0.562315  1
  H  H38  1  0.102799  0.830920  0.577819  1
  H  H39  1  0.439227  0.157575  0.570067  1
  H  H40  1  0.766343  0.504328  0.585643  1
  H  H41  1  0.093487  0.851018  0.601147  1
  H  H42  1  0.429915  0.177673  0.593395  1
  H  H43  1  0.757105  0.524266  0.608786  1
  H  H44  1  0.084250  0.870957  0.624290  1
  H  H45  1  0.420677  0.197612  0.616538  1
  H  H46  1  0.747704  0.544556  0.632336  1
  H  H47  1  0.074849  0.891247  0.647840  1
  H  H48  1  0.411277  0.217902  0.640088  1
  H  H49  1  0.738642  0.564117  0.655040  1
  H  H50  1  0.065787  0.910808  0.670544  1
  H  H51  1  0.402214  0.237463  0.662792  1
  H  H52  1  0.728759  0.585449  0.679800  1
  H  H53  1  0.055904  0.932139  0.695303  1
  H  H54  1  0.392331  0.258794  0.687552  1
  H  H55  1  0.720406  0.603477  0.700726  1
  H  H56  1  0.047551  0.950168  0.716229  1
  H  H57  1  0.383979  0.276822  0.708478  1
