# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84844553
_cell_length_b   10.86989170
_cell_length_c   48.39502721
_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   H80
_cell_volume   2024.46978614
_cell_formula_units_Z   40
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  0.571763  0.910634  0.290928  1
  H  H2  1  0.571763  0.513852  0.336382  1
  H  H3  1  0.928237  0.013852  0.336382  1
  H  H4  1  0.928237  0.410634  0.290928  1
  H  H5  1  0.071763  0.034410  0.345436  1
  H  H6  1  0.071763  0.431193  0.299981  1
  H  H7  1  0.428237  0.931193  0.299981  1
  H  H8  1  0.428237  0.534410  0.345436  1
  H  H9  1  0.571763  0.815460  0.359110  1
  H  H10  1  0.571763  0.212243  0.313655  1
  H  H11  1  0.928237  0.712243  0.313655  1
  H  H12  1  0.928237  0.315460  0.359110  1
  H  H13  1  0.071763  0.732801  0.322709  1
  H  H14  1  0.071763  0.129584  0.277254  1
  H  H15  1  0.428237  0.629584  0.277254  1
  H  H16  1  0.428237  0.232801  0.322709  1
  H  H17  1  0.571763  0.117069  0.381837  1
  H  H18  1  0.571763  0.720287  0.427291  1
  H  H19  1  0.928237  0.220287  0.427291  1
  H  H20  1  0.928237  0.617069  0.381837  1
  H  H21  1  0.071763  0.240845  0.436345  1
  H  H22  1  0.071763  0.637628  0.390890  1
  H  H23  1  0.428237  0.137628  0.390890  1
  H  H24  1  0.428237  0.740845  0.436345  1
  H  H25  1  0.571763  0.021895  0.450019  1
  H  H26  1  0.571763  0.418678  0.404564  1
  H  H27  1  0.928237  0.918678  0.404564  1
  H  H28  1  0.928237  0.521895  0.450019  1
  H  H29  1  0.071763  0.939236  0.413618  1
  H  H30  1  0.071763  0.336019  0.368163  1
  H  H31  1  0.428237  0.836019  0.368163  1
  H  H32  1  0.428237  0.439236  0.413618  1
  H  H33  1  0.571763  0.323504  0.472746  1
  H  H34  1  0.571763  0.926721  0.518201  1
  H  H35  1  0.928237  0.426721  0.518201  1
  H  H36  1  0.928237  0.823504  0.472746  1
  H  H37  1  0.071763  0.447280  0.527254  1
  H  H38  1  0.071763  0.844062  0.481799  1
  H  H39  1  0.428237  0.344062  0.481799  1
  H  H40  1  0.428237  0.947280  0.527254  1
  H  H41  1  0.571763  0.228330  0.540928  1
  H  H42  1  0.571763  0.625113  0.495473  1
  H  H43  1  0.928237  0.125113  0.495473  1
  H  H44  1  0.928237  0.728330  0.540928  1
  H  H45  1  0.071763  0.145671  0.504527  1
  H  H46  1  0.071763  0.542454  0.459072  1
  H  H47  1  0.428237  0.042454  0.459072  1
  H  H48  1  0.428237  0.645671  0.504527  1
  H  H49  1  0.571763  0.529939  0.563655  1
  H  H50  1  0.571763  0.133156  0.609110  1
  H  H51  1  0.928237  0.633156  0.609110  1
  H  H52  1  0.928237  0.029939  0.563655  1
  H  H53  1  0.071763  0.653715  0.618163  1
  H  H54  1  0.071763  0.050497  0.572709  1
  H  H55  1  0.428237  0.550497  0.572709  1
  H  H56  1  0.428237  0.153715  0.618163  1
  H  H57  1  0.571763  0.434765  0.631837  1
  H  H58  1  0.571763  0.831548  0.586382  1
  H  H59  1  0.928237  0.331548  0.586382  1
  H  H60  1  0.928237  0.934765  0.631837  1
  H  H61  1  0.071763  0.352106  0.595436  1
  H  H62  1  0.071763  0.748889  0.549981  1
  H  H63  1  0.428237  0.248889  0.549981  1
  H  H64  1  0.428237  0.852106  0.595436  1
  H  H65  1  0.571763  0.736374  0.654564  1
  H  H66  1  0.571763  0.339591  0.700019  1
  H  H67  1  0.928237  0.839591  0.700019  1
  H  H68  1  0.928237  0.236374  0.654564  1
  H  H69  1  0.071763  0.860150  0.709072  1
  H  H70  1  0.071763  0.256932  0.663618  1
  H  H71  1  0.428237  0.756932  0.663618  1
  H  H72  1  0.428237  0.360150  0.709072  1
  H  H73  1  0.571763  0.641200  0.722746  1
  H  H74  1  0.571763  0.037983  0.677291  1
  H  H75  1  0.928237  0.537983  0.677291  1
  H  H76  1  0.928237  0.141200  0.722746  1
  H  H77  1  0.071763  0.558541  0.686345  1
  H  H78  1  0.071763  0.955323  0.640890  1
  H  H79  1  0.428237  0.455323  0.640890  1
  H  H80  1  0.428237  0.058541  0.686345  1
