# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.28560928
_cell_length_b   6.08213936
_cell_length_c   48.17519117
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.87531518
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H33
_cell_volume   659.273404438
_cell_formula_units_Z   16
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  0.771319  0.786636  0.292228  1
  H  H2  1  0.946475  0.427209  0.306851  1
  H  H3  1  0.580699  0.159927  0.280186  1
  H  H4  1  0.313650  0.692515  0.333744  1
  H  H5  1  0.498398  0.322983  0.346869  1
  H  H6  1  0.133364  0.056525  0.320748  1
  H  H7  1  0.867175  0.584300  0.373220  1
  H  H8  1  0.051581  0.215093  0.386325  1
  H  H9  1  0.682707  0.954191  0.360384  1
  H  H10  1  0.422217  0.473993  0.412392  1
  H  H11  1  0.607468  0.103595  0.425405  1
  H  H12  1  0.237405  0.844003  0.399482  1
  H  H13  1  0.977981  0.362740  0.451486  1
  H  H14  1  0.163150  0.992474  0.464513  1
  H  H15  1  0.792893  0.733024  0.438505  1
  H  H16  1  0.533617  0.251724  0.490596  1
  H  H17  1  0.718757  0.881445  0.503614  1
  H  H18  1  0.348477  0.622002  0.477579  1
  H  H19  1  0.089253  0.140707  0.529706  1
  H  H20  1  0.274341  0.770423  0.542688  1
  H  H21  1  0.904085  0.510973  0.516679  1
  H  H22  1  0.645018  0.029454  0.568800  1
  H  H23  1  0.829829  0.659444  0.581710  1
  H  H24  1  0.459767  0.399852  0.555788  1
  H  H25  1  0.200060  0.919147  0.607973  1
  H  H26  1  0.384528  0.549256  0.620808  1
  H  H27  1  0.015654  0.288354  0.594867  1
  H  H28  1  0.753584  0.810933  0.647448  1
  H  H29  1  0.933870  0.446922  0.660444  1
  H  H30  1  0.568836  0.180464  0.634324  1
  H  H31  1  0.295915  0.716811  0.688964  1
  H  H32  1  0.486535  0.343520  0.701006  1
  H  H33  1  0.120760  0.076238  0.674342  1
