# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12573662
_cell_length_b   2.30803720
_cell_length_c   34.94905028
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.32150818
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H20
_cell_volume   409.107811578
_cell_formula_units_Z   10
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  0.640124  0.546610  0.437061  1
  H  H2  1  0.043629  0.264531  0.456142  1
  H  H3  1  0.400197  0.955973  0.482747  1
  H  H4  1  0.783256  0.685838  0.501594  1
  H  H5  1  0.144073  0.380525  0.525116  1
  H  H6  1  0.524941  1.118685  0.546039  1
  H  H7  1  -0.108775  0.817974  0.568366  1
  H  H8  1  0.267824  0.545445  0.589686  1
  H  H9  1  0.637339  0.248975  0.612133  1
  H  H10  1  0.013047  0.972243  0.633494  1
  H  H11  1  0.382742  0.676655  0.655890  1
  H  H12  1  0.758450  0.399923  0.677251  1
  H  H13  1  0.127966  1.103453  0.699699  1
  H  H14  1  0.504565  0.830923  0.721018  1
  H  H15  1  -0.129152  0.530213  0.743345  1
  H  H16  1  0.251716  0.268373  0.764268  1
  H  H17  1  0.612533  0.963060  0.787790  1
  H  H18  1  -0.004408  0.692925  0.806637  1
  H  H19  1  0.352160  0.384367  0.833242  1
  H  H20  1  0.755666  1.102288  0.852323  1
