# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63106862
_cell_length_b   4.48926270
_cell_length_c   46.97425193
_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   1609.23789633
_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  0.886944  0.512077  0.292561  1
  H  H2  1  0.623783  0.512077  0.315069  1
  H  H3  1  0.386944  0.762077  0.292561  1
  H  H4  1  0.123783  0.762077  0.315069  1
  H  H5  1  0.886944  1.012077  0.292561  1
  H  H6  1  0.623783  1.012077  0.315069  1
  H  H7  1  0.386944  0.262077  0.292561  1
  H  H8  1  0.123783  0.262077  0.315069  1
  H  H9  1  0.859888  0.262077  0.337578  1
  H  H10  1  0.595623  0.262077  0.359499  1
  H  H11  1  0.359888  0.512077  0.337578  1
  H  H12  1  0.095623  0.512077  0.359499  1
  H  H13  1  0.859888  0.762077  0.337578  1
  H  H14  1  0.595623  0.762077  0.359499  1
  H  H15  1  0.359888  1.012077  0.337578  1
  H  H16  1  0.095623  1.012077  0.359499  1
  H  H17  1  0.831324  1.012077  0.381516  1
  H  H18  1  0.567029  1.012077  0.403983  1
  H  H19  1  0.331324  0.262077  0.381516  1
  H  H20  1  0.067029  0.262077  0.403983  1
  H  H21  1  0.831324  0.512077  0.381516  1
  H  H22  1  0.567029  0.512077  0.403983  1
  H  H23  1  0.331324  0.762077  0.381516  1
  H  H24  1  0.067029  0.762077  0.403983  1
  H  H25  1  0.802859  0.762077  0.425561  1
  H  H26  1  0.539878  0.762077  0.449219  1
  H  H27  1  0.302859  1.012077  0.425561  1
  H  H28  1  0.039878  1.012077  0.449219  1
  H  H29  1  0.802859  0.262077  0.425561  1
  H  H30  1  0.539878  0.262077  0.449219  1
  H  H31  1  0.302859  0.512077  0.425561  1
  H  H32  1  0.039878  0.512077  0.449219  1
  H  H33  1  0.802917  0.762077  0.473087  1
  H  H34  1  0.567053  0.512077  0.494345  1
  H  H35  1  0.302917  1.012077  0.473087  1
  H  H36  1  0.067053  0.762077  0.494345  1
  H  H37  1  0.802917  0.262077  0.473087  1
  H  H38  1  0.567053  1.012077  0.494345  1
  H  H39  1  0.302917  0.512077  0.473087  1
  H  H40  1  0.067053  0.262077  0.494345  1
  H  H41  1  0.831522  0.512077  0.517311  1
  H  H42  1  0.595657  0.262077  0.538569  1
  H  H43  1  0.331522  0.762077  0.517311  1
  H  H44  1  0.095657  0.512077  0.538569  1
  H  H45  1  0.831522  1.012077  0.517311  1
  H  H46  1  0.595657  0.762077  0.538569  1
  H  H47  1  0.331522  0.262077  0.517311  1
  H  H48  1  0.095657  1.012077  0.538569  1
  H  H49  1  0.858697  0.262077  0.562437  1
  H  H50  1  0.595715  0.262077  0.586096  1
  H  H51  1  0.358697  0.512077  0.562437  1
  H  H52  1  0.095715  0.512077  0.586096  1
  H  H53  1  0.858697  0.762077  0.562437  1
  H  H54  1  0.595715  0.762077  0.586096  1
  H  H55  1  0.358697  1.012077  0.562437  1
  H  H56  1  0.095715  1.012077  0.586096  1
  H  H57  1  0.831545  1.012077  0.607674  1
  H  H58  1  0.567251  1.012077  0.630141  1
  H  H59  1  0.331545  0.262077  0.607674  1
  H  H60  1  0.067251  0.262077  0.630141  1
  H  H61  1  0.831545  0.512077  0.607674  1
  H  H62  1  0.567251  0.512077  0.630141  1
  H  H63  1  0.331545  0.762077  0.607674  1
  H  H64  1  0.067251  0.762077  0.630141  1
  H  H65  1  0.802951  0.762077  0.652158  1
  H  H66  1  0.538687  0.762077  0.674079  1
  H  H67  1  0.302951  1.012077  0.652158  1
  H  H68  1  0.038687  1.012077  0.674079  1
  H  H69  1  0.802951  0.262077  0.652158  1
  H  H70  1  0.538687  0.262077  0.674079  1
  H  H71  1  0.302951  0.512077  0.652158  1
  H  H72  1  0.038687  0.512077  0.674079  1
  H  H73  1  0.774791  0.512077  0.696587  1
  H  H74  1  0.511631  0.512077  0.719095  1
  H  H75  1  0.274791  0.762077  0.696587  1
  H  H76  1  0.011631  0.762077  0.719095  1
  H  H77  1  0.774791  1.012077  0.696587  1
  H  H78  1  0.511631  1.012077  0.719095  1
  H  H79  1  0.274791  0.262077  0.696587  1
  H  H80  1  0.011631  0.262077  0.719095  1
