# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35569100
_cell_length_b   10.31948340
_cell_length_c   49.79149379
_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   H36
_cell_volume   3265.69699986
_cell_formula_units_Z   18
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  0.250000  0.178571  0.286325  1
  H  H2  1  0.250000  0.821429  0.311966  1
  H  H3  1  0.250000  0.464286  0.337607  1
  H  H4  1  0.750000  0.250000  0.329060  1
  H  H5  1  0.750000  0.964286  0.277778  1
  H  H6  1  0.750000  0.607143  0.303419  1
  H  H7  1  0.250000  0.107143  0.363248  1
  H  H8  1  0.250000  0.750000  0.388889  1
  H  H9  1  0.250000  0.392857  0.414530  1
  H  H10  1  0.750000  0.178571  0.405983  1
  H  H11  1  0.750000  0.892857  0.354701  1
  H  H12  1  0.750000  0.535714  0.380342  1
  H  H13  1  0.250000  0.035714  0.440171  1
  H  H14  1  0.250000  0.678571  0.465812  1
  H  H15  1  0.250000  0.321429  0.491453  1
  H  H16  1  0.750000  0.107143  0.482906  1
  H  H17  1  0.750000  0.821429  0.431624  1
  H  H18  1  0.750000  0.464286  0.457265  1
  H  H19  1  0.250000  0.964286  0.517094  1
  H  H20  1  0.250000  0.607143  0.542735  1
  H  H21  1  0.250000  0.250000  0.568376  1
  H  H22  1  0.750000  0.035714  0.559829  1
  H  H23  1  0.750000  0.750000  0.508547  1
  H  H24  1  0.750000  0.392857  0.534188  1
  H  H25  1  0.250000  0.892857  0.594017  1
  H  H26  1  0.250000  0.535714  0.619658  1
  H  H27  1  0.250000  0.178571  0.645299  1
  H  H28  1  0.750000  0.964286  0.636752  1
  H  H29  1  0.750000  0.678571  0.585470  1
  H  H30  1  0.750000  0.321429  0.611111  1
  H  H31  1  0.250000  0.821429  0.670940  1
  H  H32  1  0.250000  0.464286  0.696581  1
  H  H33  1  0.250000  0.107143  0.722222  1
  H  H34  1  0.750000  0.892857  0.713675  1
  H  H35  1  0.750000  0.607143  0.662393  1
  H  H36  1  0.750000  0.250000  0.688034  1
