# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84866230
_cell_length_b   5.09283896
_cell_length_c   45.84788790
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.32843011
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H40
_cell_volume   665.105303526
_cell_formula_units_Z   20
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  0.511754  0.939095  0.291115  1
  H  H2  1  0.011295  0.461009  0.279751  1
  H  H3  1  0.512580  0.899659  0.311564  1
  H  H4  1  0.012121  0.421574  0.300200  1
  H  H5  1  0.513558  0.852999  0.335759  1
  H  H6  1  0.013099  0.374914  0.324396  1
  H  H7  1  0.514454  0.810213  0.357946  1
  H  H8  1  0.013995  0.332127  0.346582  1
  H  H9  1  0.515385  0.765831  0.380960  1
  H  H10  1  0.014925  0.287745  0.369596  1
  H  H11  1  0.516298  0.722217  0.403575  1
  H  H12  1  0.015839  0.244132  0.392211  1
  H  H13  1  0.517220  0.678255  0.426372  1
  H  H14  1  0.016760  0.200169  0.415008  1
  H  H15  1  0.518137  0.634456  0.449083  1
  H  H16  1  0.017678  0.156370  0.437720  1
  H  H17  1  0.519057  0.590580  0.471835  1
  H  H18  1  0.018598  0.112495  0.460471  1
  H  H19  1  0.519975  0.546743  0.494566  1
  H  H20  1  0.019516  0.068657  0.483202  1
  H  H21  1  0.520895  0.502882  0.517310  1
  H  H22  1  0.020435  0.024796  0.505946  1
  H  H23  1  0.521813  0.459045  0.540041  1
  H  H24  1  0.021354  0.980959  0.528678  1
  H  H25  1  0.522733  0.415169  0.562793  1
  H  H26  1  0.022273  0.937083  0.551429  1
  H  H27  1  0.523650  0.371370  0.585504  1
  H  H28  1  0.023191  0.893285  0.574140  1
  H  H29  1  0.524572  0.327407  0.608301  1
  H  H30  1  0.024112  0.849322  0.596937  1
  H  H31  1  0.525486  0.283794  0.630916  1
  H  H32  1  0.025026  0.805708  0.619552  1
  H  H33  1  0.526416  0.239412  0.653930  1
  H  H34  1  0.025956  0.761326  0.642566  1
  H  H35  1  0.527312  0.196625  0.676117  1
  H  H36  1  0.026853  0.718540  0.664753  1
  H  H37  1  0.528290  0.149965  0.700312  1
  H  H38  1  0.027831  0.671880  0.688948  1
  H  H39  1  0.529116  0.110530  0.720761  1
  H  H40  1  0.028657  0.632445  0.709397  1
