# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.88749502
_cell_length_b   6.39216003
_cell_length_c   48.95890253
_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   H28
_cell_volume   2781.36947503
_cell_formula_units_Z   14
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  0.333333  0.867004  0.328125  1
  H  H2  1  0.833333  0.189194  0.296875  1
  H  H3  1  0.166667  0.367004  0.328125  1
  H  H4  1  0.666667  0.689194  0.296875  1
  H  H5  1  0.333333  0.222624  0.390625  1
  H  H6  1  0.833333  0.544814  0.359375  1
  H  H7  1  0.166667  0.722624  0.390625  1
  H  H8  1  0.666667  0.044814  0.359375  1
  H  H9  1  0.333333  0.578243  0.453125  1
  H  H10  1  0.833333  0.900433  0.421875  1
  H  H11  1  0.166667  0.078243  0.453125  1
  H  H12  1  0.666667  0.400433  0.421875  1
  H  H13  1  0.333333  0.933863  0.515625  1
  H  H14  1  0.833333  0.256053  0.484375  1
  H  H15  1  0.166667  0.433863  0.515625  1
  H  H16  1  0.666667  0.756053  0.484375  1
  H  H17  1  0.333333  0.289483  0.578125  1
  H  H18  1  0.833333  0.611673  0.546875  1
  H  H19  1  0.166667  0.789483  0.578125  1
  H  H20  1  0.666667  0.111673  0.546875  1
  H  H21  1  0.333333  0.645103  0.640625  1
  H  H22  1  0.833333  0.967293  0.609375  1
  H  H23  1  0.166667  0.145103  0.640625  1
  H  H24  1  0.666667  0.467293  0.609375  1
  H  H25  1  0.333333  0.000722  0.703125  1
  H  H26  1  0.833333  0.322913  0.671875  1
  H  H27  1  0.166667  0.500722  0.703125  1
  H  H28  1  0.666667  0.822913  0.671875  1
