# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84157320
_cell_length_b   6.26113042
_cell_length_c   48.57013924
_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   1472.34166379
_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  0.500000  0.258207  0.282623  1
  H  H2  1  0.500000  0.081785  0.336153  1
  H  H3  1  0.500000  0.696243  0.288847  1
  H  H4  1  0.500000  0.519822  0.342377  1
  H  H5  1  0.000000  0.947108  0.313873  1
  H  H6  1  0.000000  0.392883  0.304903  1
  H  H7  1  0.000000  0.385145  0.320097  1
  H  H8  1  0.000000  0.830920  0.311127  1
  H  H9  1  0.500000  0.636009  0.345123  1
  H  H10  1  0.500000  0.459588  0.398653  1
  H  H11  1  0.500000  0.074046  0.351347  1
  H  H12  1  0.500000  0.897624  0.404877  1
  H  H13  1  0.000000  0.324911  0.376373  1
  H  H14  1  0.000000  0.770686  0.367403  1
  H  H15  1  0.000000  0.762948  0.382597  1
  H  H16  1  0.000000  0.208723  0.373627  1
  H  H17  1  0.500000  0.013812  0.407623  1
  H  H18  1  0.500000  0.837390  0.461153  1
  H  H19  1  0.500000  0.451849  0.413847  1
  H  H20  1  0.500000  0.275427  0.467377  1
  H  H21  1  0.000000  0.702714  0.438873  1
  H  H22  1  0.000000  0.148489  0.429903  1
  H  H23  1  0.000000  0.140750  0.445097  1
  H  H24  1  0.000000  0.586526  0.436127  1
  H  H25  1  0.500000  0.391615  0.470123  1
  H  H26  1  0.500000  0.215193  0.523653  1
  H  H27  1  0.500000  0.829652  0.476347  1
  H  H28  1  0.500000  0.653230  0.529877  1
  H  H29  1  0.000000  0.080516  0.501373  1
  H  H30  1  0.000000  0.526292  0.492403  1
  H  H31  1  0.000000  0.518553  0.507597  1
  H  H32  1  0.000000  0.964329  0.498627  1
  H  H33  1  0.500000  0.769418  0.532623  1
  H  H34  1  0.500000  0.592996  0.586153  1
  H  H35  1  0.500000  0.207455  0.538847  1
  H  H36  1  0.500000  0.031033  0.592377  1
  H  H37  1  0.000000  0.458319  0.563873  1
  H  H38  1  0.000000  0.904095  0.554903  1
  H  H39  1  0.000000  0.896356  0.570097  1
  H  H40  1  0.000000  0.342131  0.561127  1
  H  H41  1  0.500000  0.147221  0.595123  1
  H  H42  1  0.500000  0.970799  0.648653  1
  H  H43  1  0.500000  0.585257  0.601347  1
  H  H44  1  0.500000  0.408836  0.654877  1
  H  H45  1  0.000000  0.836122  0.626373  1
  H  H46  1  0.000000  0.281897  0.617403  1
  H  H47  1  0.000000  0.274159  0.632597  1
  H  H48  1  0.000000  0.719934  0.623627  1
  H  H49  1  0.500000  0.525023  0.657623  1
  H  H50  1  0.500000  0.348602  0.711153  1
  H  H51  1  0.500000  0.963060  0.663847  1
  H  H52  1  0.500000  0.786638  0.717377  1
  H  H53  1  0.000000  0.213925  0.688873  1
  H  H54  1  0.000000  0.659700  0.679903  1
  H  H55  1  0.000000  0.651962  0.695097  1
  H  H56  1  0.000000  0.097737  0.686127  1
