# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.38443576
_cell_length_b   4.89554797
_cell_length_c   68.44457916
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.56104144
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H39
_cell_volume   790.059593318
_cell_formula_units_Z   19
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  0.637066  1.234972  0.135239  1
  H  H2  1  0.902445  0.811542  0.144132  1
  H  H3  1  0.212557  0.457900  0.159227  1
  H  H4  1  0.479961  1.061907  0.168087  1
  H  H5  1  0.783983  0.702716  0.181137  1
  H  H6  1  1.049055  0.313179  0.191465  1
  H  H7  1  0.348036  0.946492  0.203457  1
  H  H8  1  0.622771  0.564896  0.214320  1
  H  H9  1  0.911670  1.193410  0.225957  1
  H  H10  1  0.191434  0.815531  0.237037  1
  H  H11  1  0.476616  0.442110  0.248494  1
  H  H12  1  0.758093  1.065624  0.259697  1
  H  H13  1  1.042039  0.691218  0.271070  1
  H  H14  1  0.324334  0.315411  0.282328  1
  H  H15  1  0.607724  0.940544  0.293665  1
  H  H16  1  0.890376  0.565047  0.304949  1
  H  H17  1  0.173515  1.189970  0.316267  1
  H  H18  1  0.456338  0.814622  0.327564  1
  H  H19  1  0.739350  0.439435  0.338873  1
  H  H20  1  1.022274  1.064173  0.350176  1
  H  H21  1  0.305197  0.688911  0.361480  1
  H  H22  1  0.588209  0.313724  0.372789  1
  H  H23  1  0.871032  0.938375  0.384085  1
  H  H24  1  0.154171  0.563298  0.395404  1
  H  H25  1  0.436824  1.187801  0.406687  1
  H  H26  1  0.720213  0.812934  0.418024  1
  H  H27  1  1.002508  0.437128  0.429282  1
  H  H28  1  0.286454  1.062721  0.440656  1
  H  H29  1  0.567932  0.686235  0.451859  1
  H  H30  1  0.853113  0.312815  0.463316  1
  H  H31  1  0.132878  0.934935  0.474396  1
  H  H32  1  0.421776  0.563449  0.486033  1
  H  H33  1  0.696511  1.181853  0.496896  1
  H  H34  1  0.995493  0.815166  0.508888  1
  H  H35  1  0.260564  0.425629  0.519216  1
  H  H36  1  0.564586  1.066438  0.532266  1
  H  H37  1  0.831990  0.670445  0.541126  1
  H  H38  1  0.142102  0.316803  0.556220  1
  H  H39  1  0.407481  0.893374  0.565114  1
