# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.17712077
_cell_length_b   6.80046320
_cell_length_c   45.09389347
_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   H30
_cell_volume   667.634467316
_cell_formula_units_Z   15
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  0.286055  0.170048  0.343702  1
  H  H2  1  0.786055  0.844959  0.345519  1
  H  H3  1  0.286055  0.519475  0.348222  1
  H  H4  1  0.286055  0.993911  0.386901  1
  H  H5  1  0.786055  0.670559  0.389244  1
  H  H6  1  0.786055  0.318928  0.384786  1
  H  H7  1  0.286055  0.819820  0.429984  1
  H  H8  1  0.286055  0.469149  0.425132  1
  H  H9  1  0.786055  0.143924  0.427590  1
  H  H10  1  0.786055  0.618309  0.465903  1
  H  H11  1  0.286055  0.294322  0.468293  1
  H  H12  1  0.786055  0.969672  0.470726  1
  H  H13  1  0.786055  0.443908  0.509148  1
  H  H14  1  0.286055  0.119422  0.511403  1
  H  H15  1  0.286055  0.768429  0.506624  1
  H  H16  1  0.786055  0.267393  0.552175  1
  H  H17  1  0.786055  0.918848  0.547464  1
  H  H18  1  0.286055  0.595132  0.549826  1
  H  H19  1  0.286055  0.066298  0.588816  1
  H  H20  1  0.786055  0.746948  0.590775  1
  H  H21  1  0.286055  0.418192  0.592238  1
  H  H22  1  0.286055  0.890617  0.633200  1
  H  H23  1  0.786055  0.565699  0.632333  1
  H  H24  1  0.786055  0.222400  0.628860  1
  H  H25  1  0.786055  0.726028  0.674862  1
  H  H26  1  0.286055  0.388446  0.670542  1
  H  H27  1  0.786055  0.065601  0.672041  1
  H  H28  1  0.286055  0.566758  0.714472  1
  H  H29  1  0.786055  0.247663  0.713836  1
  H  H30  1  0.286055  0.917502  0.713128  1
