# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45678800
_cell_length_b   5.66616942
_cell_length_c   49.53820616
_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   H32
_cell_volume   1250.98415235
_cell_formula_units_Z   16
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  0.747629  0.327462  1
  H  H2  1  0.000000  0.946910  0.283649  1
  H  H3  1  0.000000  0.247629  0.327462  1
  H  H4  1  0.500000  0.446910  0.283649  1
  H  H5  1  0.500000  0.128951  0.383017  1
  H  H6  1  0.000000  0.328232  0.339205  1
  H  H7  1  0.000000  0.628951  0.383017  1
  H  H8  1  0.500000  0.828232  0.339205  1
  H  H9  1  0.500000  0.510273  0.438573  1
  H  H10  1  0.000000  0.709554  0.394760  1
  H  H11  1  0.000000  0.010273  0.438573  1
  H  H12  1  0.500000  0.209554  0.394760  1
  H  H13  1  0.500000  0.891594  0.494128  1
  H  H14  1  0.000000  0.090875  0.450316  1
  H  H15  1  0.000000  0.391594  0.494128  1
  H  H16  1  0.500000  0.590875  0.450316  1
  H  H17  1  0.500000  0.272916  0.549684  1
  H  H18  1  0.000000  0.472197  0.505872  1
  H  H19  1  0.000000  0.772916  0.549684  1
  H  H20  1  0.500000  0.972197  0.505872  1
  H  H21  1  0.500000  0.654238  0.605240  1
  H  H22  1  0.000000  0.853519  0.561427  1
  H  H23  1  0.000000  0.154238  0.605240  1
  H  H24  1  0.500000  0.353519  0.561427  1
  H  H25  1  0.500000  0.035560  0.660795  1
  H  H26  1  0.000000  0.234841  0.616983  1
  H  H27  1  0.000000  0.535560  0.660795  1
  H  H28  1  0.500000  0.734841  0.616983  1
  H  H29  1  0.500000  0.416882  0.716351  1
  H  H30  1  0.000000  0.616162  0.672538  1
  H  H31  1  0.000000  0.916882  0.716351  1
  H  H32  1  0.500000  0.116162  0.672538  1
