# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.28376538
_cell_length_b   8.24058163
_cell_length_c   47.54394416
_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   H44
_cell_volume   894.755871639
_cell_formula_units_Z   22
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  0.250458  0.883310  0.283979  1
  H  H2  1  0.750458  0.382605  0.298244  1
  H  H3  1  0.750458  0.116884  0.298244  1
  H  H4  1  0.250458  0.616179  0.283979  1
  H  H5  1  0.750458  0.881273  0.326205  1
  H  H6  1  0.250458  0.381526  0.340196  1
  H  H7  1  0.250458  0.117962  0.340196  1
  H  H8  1  0.750458  0.618216  0.326205  1
  H  H9  1  0.250458  0.881447  0.367707  1
  H  H10  1  0.750458  0.381579  0.381675  1
  H  H11  1  0.750458  0.117910  0.381675  1
  H  H12  1  0.250458  0.618041  0.367707  1
  H  H13  1  0.750458  0.881566  0.409381  1
  H  H14  1  0.250458  0.381574  0.423320  1
  H  H15  1  0.250458  0.117915  0.423320  1
  H  H16  1  0.750458  0.617922  0.409381  1
  H  H17  1  0.250458  0.881546  0.451040  1
  H  H18  1  0.750458  0.381560  0.464961  1
  H  H19  1  0.750458  0.117929  0.464961  1
  H  H20  1  0.250458  0.617942  0.451040  1
  H  H21  1  0.750458  0.881554  0.492692  1
  H  H22  1  0.250458  0.381554  0.506608  1
  H  H23  1  0.250458  0.117934  0.506608  1
  H  H24  1  0.750458  0.617934  0.492692  1
  H  H25  1  0.250458  0.881560  0.534339  1
  H  H26  1  0.750458  0.381546  0.548259  1
  H  H27  1  0.750458  0.117942  0.548259  1
  H  H28  1  0.250458  0.617929  0.534339  1
  H  H29  1  0.750458  0.881574  0.575980  1
  H  H30  1  0.250458  0.381566  0.589918  1
  H  H31  1  0.250458  0.117922  0.589918  1
  H  H32  1  0.750458  0.617915  0.575980  1
  H  H33  1  0.250458  0.881579  0.617624  1
  H  H34  1  0.750458  0.381447  0.631593  1
  H  H35  1  0.750458  0.118041  0.631593  1
  H  H36  1  0.250458  0.617910  0.617624  1
  H  H37  1  0.750458  0.881526  0.659103  1
  H  H38  1  0.250458  0.381273  0.673095  1
  H  H39  1  0.250458  0.118216  0.673095  1
  H  H40  1  0.750458  0.617962  0.659103  1
  H  H41  1  0.250458  0.882605  0.701056  1
  H  H42  1  0.750458  0.383310  0.715321  1
  H  H43  1  0.750458  0.116179  0.715321  1
  H  H44  1  0.250458  0.616884  0.701056  1
