# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.26885059
_cell_length_b   9.65387111
_cell_length_c   35.34406917
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.67762819
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H39
_cell_volume   774.135650107
_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  0.508023  0.331766  0.484634  1
  H  H2  1  0.508881  0.555192  0.462786  1
  H  H3  1  0.007542  -0.057141  0.473675  1
  H  H4  1  0.009020  0.506225  0.520687  1
  H  H5  1  0.008230  0.726013  0.497649  1
  H  H6  1  0.508243  0.116011  0.508587  1
  H  H7  1  0.509311  0.679461  0.554890  1
  H  H8  1  0.508664  -0.101887  0.532399  1
  H  H9  1  0.008996  0.289030  0.543313  1
  H  H10  1  0.009806  0.852306  0.589438  1
  H  H11  1  0.009059  0.070865  0.566291  1
  H  H12  1  0.509611  0.461342  0.577898  1
  H  H13  1  0.510240  0.025015  0.623837  1
  H  H14  1  0.509890  0.243166  0.600795  1
  H  H15  1  0.010253  0.634066  0.612384  1
  H  H16  1  0.010859  0.197647  0.658391  1
  H  H17  1  0.010520  0.415823  0.635401  1
  H  H18  1  0.510740  0.806798  0.646946  1
  H  H19  1  0.511419  0.370373  0.692966  1
  H  H20  1  0.511129  0.588585  0.669948  1
  H  H21  1  0.011274  -0.020521  0.681457  1
  H  H22  1  0.012029  0.543135  0.727513  1
  H  H23  1  0.011689  0.761311  0.704523  1
  H  H24  1  0.511809  0.152160  0.715969  1
  H  H25  1  0.512659  0.715791  0.762120  1
  H  H26  1  0.512309  -0.066058  0.739077  1
  H  H27  1  0.012296  0.324892  0.750530  1
  H  H28  1  0.013490  -0.111907  0.796623  1
  H  H29  1  0.012743  0.106652  0.773476  1
  H  H30  1  0.512938  0.497615  0.785017  1
  H  H31  1  0.513884  0.060844  0.830515  1
  H  H32  1  0.513238  0.279497  0.808024  1
  H  H33  1  0.013553  0.669927  0.819601  1
  H  H34  1  0.014319  0.232945  0.865265  1
  H  H35  1  0.013529  0.452733  0.842227  1
  H  H36  1  0.514306  0.842947  0.854327  1
  H  H37  1  0.513668  0.403765  0.900128  1
  H  H38  1  0.514526  0.627192  0.878281  1
  H  H39  1  0.015007  0.016099  0.889240  1
