# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21000000
_cell_length_b   16.47546661
_cell_length_c   54.36903981
_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   H30
_cell_volume   4666.88511284
_cell_formula_units_Z   15
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  0.000000  0.283333  0.348485  1
  H  H2  1  0.000000  0.983333  0.318182  1
  H  H3  1  0.000000  0.683333  0.287879  1
  H  H4  1  0.500000  0.183333  0.287879  1
  H  H5  1  0.500000  0.783333  0.348485  1
  H  H6  1  0.500000  0.483333  0.318182  1
  H  H7  1  0.000000  0.183333  0.439394  1
  H  H8  1  0.000000  0.883333  0.409091  1
  H  H9  1  0.000000  0.583333  0.378788  1
  H  H10  1  0.500000  0.083333  0.378788  1
  H  H11  1  0.500000  0.683333  0.439394  1
  H  H12  1  0.500000  0.383333  0.409091  1
  H  H13  1  0.000000  0.083333  0.530303  1
  H  H14  1  0.000000  0.783333  0.500000  1
  H  H15  1  0.000000  0.483333  0.469697  1
  H  H16  1  0.500000  0.983333  0.469697  1
  H  H17  1  0.500000  0.583333  0.530303  1
  H  H18  1  0.500000  0.283333  0.500000  1
  H  H19  1  0.000000  0.983333  0.621212  1
  H  H20  1  0.000000  0.683333  0.590909  1
  H  H21  1  0.000000  0.383333  0.560606  1
  H  H22  1  0.500000  0.883333  0.560606  1
  H  H23  1  0.500000  0.483333  0.621212  1
  H  H24  1  0.500000  0.183333  0.590909  1
  H  H25  1  0.000000  0.883333  0.712121  1
  H  H26  1  0.000000  0.583333  0.681818  1
  H  H27  1  0.000000  0.283333  0.651515  1
  H  H28  1  0.500000  0.783333  0.651515  1
  H  H29  1  0.500000  0.383333  0.712121  1
  H  H30  1  0.500000  0.083333  0.681818  1
