# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04143989
_cell_length_b   4.98010706
_cell_length_c   46.90657948
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.35678736
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H42
_cell_volume   710.434942869
_cell_formula_units_Z   21
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  0.804529  0.511625  0.293822  1
  H  H2  1  0.365969  0.011204  0.283184  1
  H  H3  1  0.693971  0.512383  0.312965  1
  H  H4  1  0.255411  0.011962  0.302327  1
  H  H5  1  0.563160  0.513280  0.335615  1
  H  H6  1  0.124601  0.012859  0.324977  1
  H  H7  1  0.443209  0.514102  0.356384  1
  H  H8  1  0.004650  0.013681  0.345746  1
  H  H9  1  0.318785  0.514955  0.377928  1
  H  H10  1  0.880226  0.014534  0.367290  1
  H  H11  1  0.196516  0.515794  0.399099  1
  H  H12  1  0.757956  0.015372  0.388461  1
  H  H13  1  0.073268  0.516639  0.420440  1
  H  H14  1  0.634708  0.016217  0.409801  1
  H  H15  1  0.950477  0.517481  0.441701  1
  H  H16  1  0.511917  0.017059  0.431062  1
  H  H17  1  0.827476  0.518324  0.462998  1
  H  H18  1  0.388917  0.017903  0.452360  1
  H  H19  1  0.704570  0.519167  0.484279  1
  H  H20  1  0.266010  0.018745  0.473641  1
  H  H21  1  0.581628  0.520010  0.505567  1
  H  H22  1  0.143068  0.019588  0.494928  1
  H  H23  1  0.458685  0.520852  0.526854  1
  H  H24  1  0.020126  0.020431  0.516216  1
  H  H25  1  0.335779  0.521695  0.548135  1
  H  H26  1  0.897219  0.021274  0.537497  1
  H  H27  1  0.212779  0.522539  0.569432  1
  H  H28  1  0.774219  0.022117  0.558794  1
  H  H29  1  0.089988  0.523380  0.590694  1
  H  H30  1  0.651428  0.022959  0.580055  1
  H  H31  1  0.966740  0.524225  0.612034  1
  H  H32  1  0.528180  0.023804  0.601396  1
  H  H33  1  0.844470  0.525064  0.633205  1
  H  H34  1  0.405910  0.024643  0.622566  1
  H  H35  1  0.720046  0.525917  0.654749  1
  H  H36  1  0.281486  0.025496  0.644110  1
  H  H37  1  0.600095  0.526739  0.675518  1
  H  H38  1  0.161535  0.026318  0.664880  1
  H  H39  1  0.469284  0.527636  0.698168  1
  H  H40  1  0.030724  0.027215  0.687529  1
  H  H41  1  0.358726  0.528394  0.717311  1
  H  H42  1  0.920167  0.027973  0.706672  1
