# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.28016838
_cell_length_b   16.75687521
_cell_length_c   33.81854620
_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   H64
_cell_volume   1292.15581968
_cell_formula_units_Z   32
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  1.016140  0.915867  0.514325  1
  H  H2  1  1.016140  0.402153  0.456594  1
  H  H3  1  0.516140  0.796932  0.507311  1
  H  H4  1  0.516140  0.243817  0.559368  1
  H  H5  1  0.016140  0.674397  0.494971  1
  H  H6  1  0.016140  0.261223  0.445345  1
  H  H7  1  0.516140  0.543974  0.491282  1
  H  H8  1  0.516140  0.007535  0.551229  1
  H  H9  1  0.516140  0.902153  0.456594  1
  H  H10  1  0.516140  0.415867  0.514325  1
  H  H11  1  1.016140  0.743817  0.559368  1
  H  H12  1  0.016140  0.296932  0.507311  1
  H  H13  1  0.516140  0.761223  0.445345  1
  H  H14  1  0.516140  0.174397  0.494971  1
  H  H15  1  1.016140  0.507535  0.551229  1
  H  H16  1  0.016140  0.043974  0.491282  1
  H  H17  1  1.016140  0.816940  0.618970  1
  H  H18  1  1.016140  0.365609  0.566459  1
  H  H19  1  0.516140  0.696448  0.613460  1
  H  H20  1  0.516140  0.147220  0.668112  1
  H  H21  1  1.016140  0.579146  0.608268  1
  H  H22  1  0.016140  0.126650  0.551292  1
  H  H23  1  0.516140  0.457144  0.605344  1
  H  H24  1  0.516140  0.907801  0.659208  1
  H  H25  1  0.516140  0.865609  0.566459  1
  H  H26  1  0.516140  0.316940  0.618970  1
  H  H27  1  1.016140  0.647220  0.668112  1
  H  H28  1  1.016140  0.196448  0.613460  1
  H  H29  1  0.516140  0.626650  0.551292  1
  H  H30  1  0.516140  0.079146  0.608268  1
  H  H31  1  1.016140  0.407801  0.659208  1
  H  H32  1  1.016140  -0.042856  0.605344  1
  H  H33  1  1.016140  0.719053  0.726089  1
  H  H34  1  1.016140  0.268397  0.672225  1
  H  H35  1  0.516140  0.597051  0.723166  1
  H  H36  1  0.516140  0.049547  0.780141  1
  H  H37  1  1.016140  0.479749  0.717974  1
  H  H38  1  1.016140  0.028977  0.663322  1
  H  H39  1  0.516140  0.359257  0.712463  1
  H  H40  1  0.516140  0.810588  0.764974  1
  H  H41  1  0.516140  0.768397  0.672225  1
  H  H42  1  0.516140  0.219053  0.726089  1
  H  H43  1  0.016140  0.549547  0.780141  1
  H  H44  1  1.016140  0.097051  0.723166  1
  H  H45  1  0.516140  0.528977  0.663322  1
  H  H46  1  0.516140  -0.020251  0.717974  1
  H  H47  1  1.016140  0.310588  0.764974  1
  H  H48  1  1.016140  0.859257  0.712463  1
  H  H49  1  0.016140  0.632223  0.840152  1
  H  H50  1  1.016140  0.168662  0.780205  1
  H  H51  1  0.516140  0.501801  0.836462  1
  H  H52  1  0.516140  0.914974  0.886089  1
  H  H53  1  1.016140  0.379265  0.824123  1
  H  H54  1  1.016140  0.932380  0.772066  1
  H  H55  1  0.516140  0.260330  0.817109  1
  H  H56  1  0.516140  0.774044  0.874840  1
  H  H57  1  0.516140  0.668662  0.780205  1
  H  H58  1  0.516140  0.132223  0.840152  1
  H  H59  1  0.016140  0.414974  0.886089  1
  H  H60  1  1.016140  0.001801  0.836462  1
  H  H61  1  0.516140  0.432380  0.772066  1
  H  H62  1  0.516140  0.879265  0.824123  1
  H  H63  1  1.016140  0.274044  0.874840  1
  H  H64  1  1.016140  0.760330  0.817109  1
