# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42855200
_cell_length_b   17.16658872
_cell_length_c   46.34978953
_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   H48
_cell_volume   4319.3238859
_cell_formula_units_Z   24
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  0.500000  0.241667  0.287037  1
  H  H2  1  0.500000  0.841667  0.361111  1
  H  H3  1  0.500000  0.541667  0.324074  1
  H  H4  1  0.000000  0.391667  0.305556  1
  H  H5  1  0.000000  0.991667  0.379630  1
  H  H6  1  0.000000  0.691667  0.342593  1
  H  H7  1  0.000000  0.191667  0.342593  1
  H  H8  1  0.000000  0.891667  0.305556  1
  H  H9  1  0.000000  0.491667  0.379630  1
  H  H10  1  0.500000  0.341667  0.361111  1
  H  H11  1  0.500000  0.041667  0.324074  1
  H  H12  1  0.500000  0.741667  0.287037  1
  H  H13  1  0.500000  0.141667  0.398148  1
  H  H14  1  0.500000  0.741667  0.472222  1
  H  H15  1  0.500000  0.441667  0.435185  1
  H  H16  1  0.000000  0.291667  0.416667  1
  H  H17  1  0.000000  0.891667  0.490741  1
  H  H18  1  0.000000  0.591667  0.453704  1
  H  H19  1  0.000000  0.091667  0.453704  1
  H  H20  1  0.000000  0.791667  0.416667  1
  H  H21  1  0.000000  0.391667  0.490741  1
  H  H22  1  0.500000  0.241667  0.472222  1
  H  H23  1  0.500000  0.941667  0.435185  1
  H  H24  1  0.500000  0.641667  0.398148  1
  H  H25  1  0.500000  0.041667  0.509259  1
  H  H26  1  0.500000  0.641667  0.583333  1
  H  H27  1  0.500000  0.341667  0.546296  1
  H  H28  1  0.000000  0.191667  0.527778  1
  H  H29  1  0.000000  0.791667  0.601852  1
  H  H30  1  0.000000  0.491667  0.564815  1
  H  H31  1  0.000000  0.991667  0.564815  1
  H  H32  1  0.000000  0.691667  0.527778  1
  H  H33  1  0.000000  0.291667  0.601852  1
  H  H34  1  0.500000  0.141667  0.583333  1
  H  H35  1  0.500000  0.841667  0.546296  1
  H  H36  1  0.500000  0.541667  0.509259  1
  H  H37  1  0.500000  0.941667  0.620370  1
  H  H38  1  0.500000  0.541667  0.694444  1
  H  H39  1  0.500000  0.241667  0.657407  1
  H  H40  1  0.000000  0.091667  0.638889  1
  H  H41  1  0.000000  0.691667  0.712963  1
  H  H42  1  0.000000  0.391667  0.675926  1
  H  H43  1  0.000000  0.891667  0.675926  1
  H  H44  1  0.000000  0.591667  0.638889  1
  H  H45  1  0.000000  0.191667  0.712963  1
  H  H46  1  0.500000  0.041667  0.694444  1
  H  H47  1  0.500000  0.741667  0.657407  1
  H  H48  1  0.500000  0.441667  0.620370  1
