# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64152117
_cell_length_b   7.88967767
_cell_length_c   48.45653124
_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   H56
_cell_volume   1392.176893
_cell_formula_units_Z   28
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  0.000000  0.499771  0.296478  1
  H  H2  1  0.000000  0.893254  0.329811  1
  H  H3  1  0.000000  0.189447  0.270189  1
  H  H4  1  0.000000  0.582931  0.303522  1
  H  H5  1  0.500000  0.196513  0.313144  1
  H  H6  1  0.500000  0.803029  0.279811  1
  H  H7  1  0.500000  0.279672  0.320189  1
  H  H8  1  0.500000  0.886189  0.286856  1
  H  H9  1  0.000000  0.286738  0.363144  1
  H  H10  1  0.000000  0.680221  0.396478  1
  H  H11  1  0.000000  0.976414  0.336856  1
  H  H12  1  0.000000  0.369898  0.370189  1
  H  H13  1  0.500000  0.983480  0.379811  1
  H  H14  1  0.500000  0.589996  0.346478  1
  H  H15  1  0.500000  0.066639  0.386856  1
  H  H16  1  0.500000  0.673156  0.353522  1
  H  H17  1  0.000000  0.073705  0.429811  1
  H  H18  1  0.000000  0.467188  0.463144  1
  H  H19  1  0.000000  0.763381  0.403522  1
  H  H20  1  0.000000  0.156864  0.436856  1
  H  H21  1  0.500000  0.770446  0.446478  1
  H  H22  1  0.500000  0.376963  0.413144  1
  H  H23  1  0.500000  0.853606  0.453522  1
  H  H24  1  0.500000  0.460123  0.420189  1
  H  H25  1  0.000000  0.860672  0.496478  1
  H  H26  1  0.000000  0.254155  0.529811  1
  H  H27  1  0.000000  0.550348  0.470189  1
  H  H28  1  0.000000  0.943831  0.503522  1
  H  H29  1  0.500000  0.557413  0.513144  1
  H  H30  1  0.500000  0.163930  0.479811  1
  H  H31  1  0.500000  0.640573  0.520189  1
  H  H32  1  0.500000  0.247090  0.486856  1
  H  H33  1  0.000000  0.647638  0.563144  1
  H  H34  1  0.000000  0.041122  0.596478  1
  H  H35  1  0.000000  0.337315  0.536856  1
  H  H36  1  0.000000  0.730798  0.570189  1
  H  H37  1  0.500000  0.344380  0.579811  1
  H  H38  1  0.500000  0.950897  0.546478  1
  H  H39  1  0.500000  0.427540  0.586856  1
  H  H40  1  0.500000  0.034056  0.553522  1
  H  H41  1  0.000000  0.434605  0.629811  1
  H  H42  1  0.000000  0.828089  0.663144  1
  H  H43  1  0.000000  0.124282  0.603522  1
  H  H44  1  0.000000  0.517765  0.636856  1
  H  H45  1  0.500000  0.131347  0.646478  1
  H  H46  1  0.500000  0.737864  0.613144  1
  H  H47  1  0.500000  0.214507  0.653522  1
  H  H48  1  0.500000  0.821023  0.620189  1
  H  H49  1  0.000000  0.221572  0.696478  1
  H  H50  1  0.000000  0.615056  0.729811  1
  H  H51  1  0.000000  0.911248  0.670189  1
  H  H52  1  0.000000  0.304732  0.703522  1
  H  H53  1  0.500000  0.918314  0.713144  1
  H  H54  1  0.500000  0.524830  0.679811  1
  H  H55  1  0.500000  0.001474  0.720189  1
  H  H56  1  0.500000  0.607990  0.686856  1
