# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84157320
_cell_length_b   4.93874836
_cell_length_c   50.02979853
_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   1196.27810867
_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  0.549794  0.302172  1
  H  H2  1  0.500000  0.049794  0.274751  1
  H  H3  1  0.500000  0.950206  0.340634  1
  H  H4  1  0.500000  0.450206  0.313212  1
  H  H5  1  0.000000  0.049794  0.302172  1
  H  H6  1  0.000000  0.549794  0.274751  1
  H  H7  1  0.000000  0.450206  0.340634  1
  H  H8  1  0.000000  0.950206  0.313212  1
  H  H9  1  0.500000  0.549794  0.379095  1
  H  H10  1  0.500000  0.049794  0.351674  1
  H  H11  1  0.500000  0.950206  0.417557  1
  H  H12  1  0.500000  0.450206  0.390136  1
  H  H13  1  0.000000  0.049794  0.379095  1
  H  H14  1  0.000000  0.549794  0.351674  1
  H  H15  1  0.000000  0.450206  0.417557  1
  H  H16  1  0.000000  0.950206  0.390136  1
  H  H17  1  0.500000  0.549794  0.456018  1
  H  H18  1  0.500000  0.049794  0.428597  1
  H  H19  1  0.500000  0.950206  0.494480  1
  H  H20  1  0.500000  0.450206  0.467059  1
  H  H21  1  0.000000  0.049794  0.456018  1
  H  H22  1  0.000000  0.549794  0.428597  1
  H  H23  1  0.000000  0.450206  0.494480  1
  H  H24  1  0.000000  0.950206  0.467059  1
  H  H25  1  0.500000  0.549794  0.532941  1
  H  H26  1  0.500000  0.049794  0.505520  1
  H  H27  1  0.500000  0.950206  0.571403  1
  H  H28  1  0.500000  0.450206  0.543982  1
  H  H29  1  0.000000  0.049794  0.532941  1
  H  H30  1  0.000000  0.549794  0.505520  1
  H  H31  1  0.000000  0.450206  0.571403  1
  H  H32  1  0.000000  0.950206  0.543982  1
  H  H33  1  0.500000  0.549794  0.609864  1
  H  H34  1  0.500000  0.049794  0.582443  1
  H  H35  1  0.500000  0.950206  0.648326  1
  H  H36  1  0.500000  0.450206  0.620905  1
  H  H37  1  0.000000  0.049794  0.609864  1
  H  H38  1  0.000000  0.549794  0.582443  1
  H  H39  1  0.000000  0.450206  0.648326  1
  H  H40  1  0.000000  0.950206  0.620905  1
  H  H41  1  0.500000  0.549794  0.686787  1
  H  H42  1  0.500000  0.049794  0.659366  1
  H  H43  1  0.500000  0.950206  0.725249  1
  H  H44  1  0.500000  0.450206  0.697828  1
  H  H45  1  0.000000  0.049794  0.686787  1
  H  H46  1  0.000000  0.549794  0.659366  1
  H  H47  1  0.000000  0.450206  0.725249  1
  H  H48  1  0.000000  0.950206  0.697828  1
