# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66856634
_cell_length_b   10.31280215
_cell_length_c   49.75878948
_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   H72
_cell_volume   2395.68672389
_cell_formula_units_Z   36
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  0.170780  0.178497  0.286255  1
  H  H2  1  0.170780  0.821354  0.311896  1
  H  H3  1  0.170780  0.464211  0.337537  1
  H  H4  1  0.670780  0.249926  0.328990  1
  H  H5  1  0.670780  0.964211  0.277708  1
  H  H6  1  0.670780  0.607069  0.303349  1
  H  H7  1  0.829200  0.249926  0.328990  1
  H  H8  1  0.829200  0.964211  0.277708  1
  H  H9  1  0.829200  0.607069  0.303349  1
  H  H10  1  0.329200  0.178497  0.286255  1
  H  H11  1  0.329200  0.821354  0.311896  1
  H  H12  1  0.329200  0.464211  0.337537  1
  H  H13  1  0.170780  0.107069  0.363178  1
  H  H14  1  0.170780  0.749926  0.388819  1
  H  H15  1  0.170780  0.392783  0.414460  1
  H  H16  1  0.670780  0.178497  0.405913  1
  H  H17  1  0.670780  0.892783  0.354631  1
  H  H18  1  0.670780  0.535640  0.380272  1
  H  H19  1  0.829200  0.178497  0.405913  1
  H  H20  1  0.829200  0.892783  0.354631  1
  H  H21  1  0.829200  0.535640  0.380272  1
  H  H22  1  0.329200  0.107069  0.363178  1
  H  H23  1  0.329200  0.749926  0.388819  1
  H  H24  1  0.329200  0.392783  0.414460  1
  H  H25  1  0.170780  0.035640  0.440101  1
  H  H26  1  0.170780  0.678497  0.465742  1
  H  H27  1  0.170780  0.321354  0.491383  1
  H  H28  1  0.670780  0.107069  0.482836  1
  H  H29  1  0.670780  0.821354  0.431554  1
  H  H30  1  0.670780  0.464211  0.457195  1
  H  H31  1  0.829200  0.107069  0.482836  1
  H  H32  1  0.829200  0.821354  0.431554  1
  H  H33  1  0.829200  0.464211  0.457195  1
  H  H34  1  0.329200  0.035640  0.440101  1
  H  H35  1  0.329200  0.678497  0.465742  1
  H  H36  1  0.329200  0.321354  0.491383  1
  H  H37  1  0.170780  0.964211  0.517024  1
  H  H38  1  0.170780  0.607069  0.542665  1
  H  H39  1  0.170780  0.249926  0.568306  1
  H  H40  1  0.670780  0.035640  0.559759  1
  H  H41  1  0.670780  0.749926  0.508477  1
  H  H42  1  0.670780  0.392783  0.534118  1
  H  H43  1  0.829200  0.035640  0.559759  1
  H  H44  1  0.829200  0.749926  0.508477  1
  H  H45  1  0.829200  0.392783  0.534118  1
  H  H46  1  0.329200  0.964211  0.517024  1
  H  H47  1  0.329200  0.607069  0.542665  1
  H  H48  1  0.329200  0.249926  0.568306  1
  H  H49  1  0.170780  0.892783  0.593948  1
  H  H50  1  0.170780  0.535640  0.619589  1
  H  H51  1  0.170780  0.178497  0.645230  1
  H  H52  1  0.670780  0.964211  0.636683  1
  H  H53  1  0.670780  0.678497  0.585401  1
  H  H54  1  0.670780  0.321354  0.611042  1
  H  H55  1  0.829200  0.964211  0.636683  1
  H  H56  1  0.829200  0.678497  0.585401  1
  H  H57  1  0.829200  0.321354  0.611042  1
  H  H58  1  0.329200  0.892783  0.593948  1
  H  H59  1  0.329200  0.535640  0.619589  1
  H  H60  1  0.329200  0.178497  0.645230  1
  H  H61  1  0.170780  0.821354  0.670871  1
  H  H62  1  0.170780  0.464211  0.696512  1
  H  H63  1  0.170780  0.107069  0.722153  1
  H  H64  1  0.670780  0.892783  0.713606  1
  H  H65  1  0.670780  0.607069  0.662324  1
  H  H66  1  0.670780  0.249926  0.687965  1
  H  H67  1  0.829200  0.892783  0.713606  1
  H  H68  1  0.829200  0.607069  0.662324  1
  H  H69  1  0.829200  0.249926  0.687965  1
  H  H70  1  0.329200  0.821354  0.670871  1
  H  H71  1  0.329200  0.464211  0.696512  1
  H  H72  1  0.329200  0.107069  0.722153  1
