# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49893078
_cell_length_b   14.09360113
_cell_length_c   46.50888372
_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   H60
_cell_volume   2293.47094648
_cell_formula_units_Z   30
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  0.605689  0.183333  0.287879  1
  H  H2  1  0.605689  0.783333  0.348485  1
  H  H3  1  0.605689  0.483333  0.318182  1
  H  H4  1  0.894311  0.283333  0.348485  1
  H  H5  1  0.894311  0.983333  0.318182  1
  H  H6  1  0.894311  0.683333  0.287879  1
  H  H7  1  0.105689  0.283333  0.348485  1
  H  H8  1  0.105689  0.983333  0.318182  1
  H  H9  1  0.105689  0.683333  0.287879  1
  H  H10  1  0.394311  0.183333  0.287879  1
  H  H11  1  0.394311  0.783333  0.348485  1
  H  H12  1  0.394311  0.483333  0.318182  1
  H  H13  1  0.605689  0.083333  0.378788  1
  H  H14  1  0.605689  0.683333  0.439394  1
  H  H15  1  0.605689  0.383333  0.409091  1
  H  H16  1  0.894311  0.183333  0.439394  1
  H  H17  1  0.894311  0.883333  0.409091  1
  H  H18  1  0.894311  0.583333  0.378788  1
  H  H19  1  0.105689  0.183333  0.439394  1
  H  H20  1  0.105689  0.883333  0.409091  1
  H  H21  1  0.105689  0.583333  0.378788  1
  H  H22  1  0.394311  0.083333  0.378788  1
  H  H23  1  0.394311  0.683333  0.439394  1
  H  H24  1  0.394311  0.383333  0.409091  1
  H  H25  1  0.605689  0.983333  0.469697  1
  H  H26  1  0.605689  0.583333  0.530303  1
  H  H27  1  0.605689  0.283333  0.500000  1
  H  H28  1  0.894311  0.083333  0.530303  1
  H  H29  1  0.894311  0.783333  0.500000  1
  H  H30  1  0.894311  0.483333  0.469697  1
  H  H31  1  0.105689  0.083333  0.530303  1
  H  H32  1  0.105689  0.783333  0.500000  1
  H  H33  1  0.105689  0.483333  0.469697  1
  H  H34  1  0.394311  0.983333  0.469697  1
  H  H35  1  0.394311  0.583333  0.530303  1
  H  H36  1  0.394311  0.283333  0.500000  1
  H  H37  1  0.605689  0.883333  0.560606  1
  H  H38  1  0.605689  0.483333  0.621212  1
  H  H39  1  0.605689  0.183333  0.590909  1
  H  H40  1  0.894311  0.983333  0.621212  1
  H  H41  1  0.894311  0.683333  0.590909  1
  H  H42  1  0.894311  0.383333  0.560606  1
  H  H43  1  0.105689  0.983333  0.621212  1
  H  H44  1  0.105689  0.683333  0.590909  1
  H  H45  1  0.105689  0.383333  0.560606  1
  H  H46  1  0.394311  0.883333  0.560606  1
  H  H47  1  0.394311  0.483333  0.621212  1
  H  H48  1  0.394311  0.183333  0.590909  1
  H  H49  1  0.605689  0.783333  0.651515  1
  H  H50  1  0.605689  0.383333  0.712121  1
  H  H51  1  0.605689  0.083333  0.681818  1
  H  H52  1  0.894311  0.883333  0.712121  1
  H  H53  1  0.894311  0.583333  0.681818  1
  H  H54  1  0.894311  0.283333  0.651515  1
  H  H55  1  0.105689  0.883333  0.712121  1
  H  H56  1  0.105689  0.583333  0.681818  1
  H  H57  1  0.105689  0.283333  0.651515  1
  H  H58  1  0.394311  0.783333  0.651515  1
  H  H59  1  0.394311  0.383333  0.712121  1
  H  H60  1  0.394311  0.083333  0.681818  1
