# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13045510
_cell_length_b   12.34014841
_cell_length_c   48.41135135
_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   H96
_cell_volume   2467.54734321
_cell_formula_units_Z   48
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  0.910471  0.333336  0.318630  1
  H  H2  1  0.910471  0.102567  0.279415  1
  H  H3  1  0.910471  0.717952  0.299022  1
  H  H4  1  0.089530  0.333336  0.318630  1
  H  H5  1  0.089530  0.102567  0.279415  1
  H  H6  1  0.089530  0.717952  0.299022  1
  H  H7  1  0.410471  0.525644  0.308826  1
  H  H8  1  0.410471  0.294875  0.269611  1
  H  H9  1  0.410471  0.910259  0.289218  1
  H  H10  1  0.589530  0.525644  0.308826  1
  H  H11  1  0.589530  0.294875  0.269611  1
  H  H12  1  0.589530  0.910259  0.289218  1
  H  H13  1  0.910471  0.179490  0.377454  1
  H  H14  1  0.910471  0.948721  0.338238  1
  H  H15  1  0.910471  0.564105  0.357846  1
  H  H16  1  0.089530  0.179490  0.377454  1
  H  H17  1  0.089530  0.948721  0.338238  1
  H  H18  1  0.089530  0.564105  0.357846  1
  H  H19  1  0.410471  0.371798  0.367650  1
  H  H20  1  0.410471  0.141028  0.328434  1
  H  H21  1  0.410471  0.756413  0.348042  1
  H  H22  1  0.589530  0.371798  0.367650  1
  H  H23  1  0.589530  0.141028  0.328434  1
  H  H24  1  0.589530  0.756413  0.348042  1
  H  H25  1  0.910471  0.025644  0.436277  1
  H  H26  1  0.910471  0.794875  0.397062  1
  H  H27  1  0.910471  0.410259  0.416669  1
  H  H28  1  0.089530  0.025644  0.436277  1
  H  H29  1  0.089530  0.794875  0.397062  1
  H  H30  1  0.089530  0.410259  0.416669  1
  H  H31  1  0.410471  0.217952  0.426473  1
  H  H32  1  0.410471  0.987182  0.387258  1
  H  H33  1  0.410471  0.602567  0.406866  1
  H  H34  1  0.589530  0.217952  0.426473  1
  H  H35  1  0.589530  0.987182  0.387258  1
  H  H36  1  0.589530  0.602567  0.406866  1
  H  H37  1  0.910471  0.871798  0.495101  1
  H  H38  1  0.910471  0.641028  0.455885  1
  H  H39  1  0.910471  0.256413  0.475493  1
  H  H40  1  0.089530  0.871798  0.495101  1
  H  H41  1  0.089530  0.641028  0.455885  1
  H  H42  1  0.089530  0.256413  0.475493  1
  H  H43  1  0.410471  0.064105  0.485297  1
  H  H44  1  0.410471  0.833336  0.446081  1
  H  H45  1  0.410471  0.448721  0.465689  1
  H  H46  1  0.589530  0.064105  0.485297  1
  H  H47  1  0.589530  0.833336  0.446081  1
  H  H48  1  0.589530  0.448721  0.465689  1
  H  H49  1  0.910471  0.717952  0.553924  1
  H  H50  1  0.910471  0.487182  0.514709  1
  H  H51  1  0.910471  0.102567  0.534317  1
  H  H52  1  0.089530  0.717952  0.553924  1
  H  H53  1  0.089530  0.487182  0.514709  1
  H  H54  1  0.089530  0.102567  0.534317  1
  H  H55  1  0.410471  0.910259  0.544120  1
  H  H56  1  0.410471  0.679490  0.504905  1
  H  H57  1  0.410471  0.294875  0.524513  1
  H  H58  1  0.589530  0.910259  0.544120  1
  H  H59  1  0.589530  0.679490  0.504905  1
  H  H60  1  0.589530  0.294875  0.524513  1
  H  H61  1  0.910471  0.564105  0.612748  1
  H  H62  1  0.910471  0.333336  0.573532  1
  H  H63  1  0.910471  0.948721  0.593140  1
  H  H64  1  0.089530  0.564105  0.612748  1
  H  H65  1  0.089530  0.333336  0.573532  1
  H  H66  1  0.089530  0.948721  0.593140  1
  H  H67  1  0.410471  0.756413  0.602944  1
  H  H68  1  0.410471  0.525644  0.563728  1
  H  H69  1  0.410471  0.141028  0.583336  1
  H  H70  1  0.589530  0.756413  0.602944  1
  H  H71  1  0.589530  0.525644  0.563728  1
  H  H72  1  0.589530  0.141028  0.583336  1
  H  H73  1  0.910471  0.410259  0.671571  1
  H  H74  1  0.910471  0.179490  0.632356  1
  H  H75  1  0.910471  0.794875  0.651964  1
  H  H76  1  0.089530  0.410259  0.671571  1
  H  H77  1  0.089530  0.179490  0.632356  1
  H  H78  1  0.089530  0.794875  0.651964  1
  H  H79  1  0.410471  0.602567  0.661768  1
  H  H80  1  0.410471  0.371798  0.622552  1
  H  H81  1  0.410471  0.987182  0.642160  1
  H  H82  1  0.589530  0.602567  0.661768  1
  H  H83  1  0.589530  0.371798  0.622552  1
  H  H84  1  0.589530  0.987182  0.642160  1
  H  H85  1  0.910471  0.256413  0.730395  1
  H  H86  1  0.910471  0.025644  0.691179  1
  H  H87  1  0.910471  0.641028  0.710787  1
  H  H88  1  0.089530  0.256413  0.730395  1
  H  H89  1  0.089530  0.025644  0.691179  1
  H  H90  1  0.089530  0.641028  0.710787  1
  H  H91  1  0.410471  0.448721  0.720591  1
  H  H92  1  0.410471  0.217952  0.681375  1
  H  H93  1  0.410471  0.833336  0.700983  1
  H  H94  1  0.589530  0.448721  0.720591  1
  H  H95  1  0.589530  0.217952  0.681375  1
  H  H96  1  0.589530  0.833336  0.700983  1
