# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84866232
_cell_length_b   4.28566465
_cell_length_c   47.14816552
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.98485638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H33
_cell_volume   544.293976762
_cell_formula_units_Z   16
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  0.962936  0.505339  0.278528  1
  H  H2  1  0.763416  0.097757  0.305802  1
  H  H3  1  0.871547  0.318648  0.291020  1
  H  H4  1  0.664262  0.895205  0.319356  1
  H  H5  1  0.460340  0.478631  0.347231  1
  H  H6  1  0.561410  0.685099  0.333415  1
  H  H7  1  0.358460  0.270510  0.361158  1
  H  H8  1  0.155283  0.855459  0.388932  1
  H  H9  1  0.256959  0.063163  0.375033  1
  H  H10  1  0.053688  0.647921  0.402820  1
  H  H11  1  0.850441  0.232726  0.430603  1
  H  H12  1  0.952056  0.440306  0.416713  1
  H  H13  1  0.748818  0.025130  0.444495  1
  H  H14  1  0.545578  0.609950  0.472277  1
  H  H15  1  0.647199  0.817542  0.458386  1
  H  H16  1  0.443958  0.402360  0.486168  1
  H  H17  1  0.240718  0.987178  0.513951  1
  H  H18  1  0.342338  0.194769  0.500059  1
  H  H19  1  0.139097  0.779588  0.527842  1
  H  H20  1  0.935857  0.364408  0.555624  1
  H  H21  1  0.037477  0.571996  0.541733  1
  H  H22  1  0.834234  0.156812  0.569516  1
  H  H23  1  0.630987  0.741617  0.597299  1
  H  H24  1  0.732620  0.949232  0.583406  1
  H  H25  1  0.529393  0.534079  0.611187  1
  H  H26  1  0.326216  0.119028  0.638961  1
  H  H27  1  0.427717  0.326375  0.625086  1
  H  H28  1  0.224336  0.910907  0.652888  1
  H  H29  1  0.020414  0.494333  0.680763  1
  H  H30  1  0.123265  0.704439  0.666704  1
  H  H31  1  0.921260  0.291781  0.694317  1
  H  H32  1  0.721740  0.884199  0.721591  1
  H  H33  1  0.813129  0.070890  0.709099  1
