# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81189200
_cell_length_b   13.57587290
_cell_length_c   45.34862454
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H24
_cell_volume   2346.78049461
_cell_formula_units_Z   12
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  0.750000  0.250000  0.302469  1
  H  H2  1  0.750000  0.892857  0.339506  1
  H  H3  1  0.750000  0.535714  0.376543  1
  H  H4  1  0.250000  0.321429  0.364198  1
  H  H5  1  0.250000  0.035714  0.290123  1
  H  H6  1  0.250000  0.678571  0.327160  1
  H  H7  1  0.750000  0.178571  0.413580  1
  H  H8  1  0.750000  0.821429  0.450617  1
  H  H9  1  0.750000  0.464286  0.487654  1
  H  H10  1  0.250000  0.250000  0.475309  1
  H  H11  1  0.250000  0.964286  0.401235  1
  H  H12  1  0.250000  0.607143  0.438272  1
  H  H13  1  0.750000  0.107143  0.524691  1
  H  H14  1  0.750000  0.750000  0.561728  1
  H  H15  1  0.750000  0.392857  0.598765  1
  H  H16  1  0.250000  0.178571  0.586420  1
  H  H17  1  0.250000  0.892857  0.512346  1
  H  H18  1  0.250000  0.535714  0.549383  1
  H  H19  1  0.750000  0.035714  0.635802  1
  H  H20  1  0.750000  0.678571  0.672840  1
  H  H21  1  0.750000  0.321429  0.709877  1
  H  H22  1  0.250000  0.107143  0.697531  1
  H  H23  1  0.250000  0.821429  0.623457  1
  H  H24  1  0.250000  0.464286  0.660494  1
