# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62283092
_cell_length_b   4.48461784
_cell_length_c   46.90995743
_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   1603.63957519
_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  0.887548  0.508985  0.292418  1
  H  H2  1  0.624281  0.508985  0.314916  1
  H  H3  1  0.387548  0.758985  0.292418  1
  H  H4  1  0.124281  0.758985  0.314916  1
  H  H5  1  0.887548  1.008985  0.292418  1
  H  H6  1  0.624281  1.008985  0.314916  1
  H  H7  1  0.387548  0.258985  0.292418  1
  H  H8  1  0.124281  0.258985  0.314916  1
  H  H9  1  0.860175  0.258985  0.337421  1
  H  H10  1  0.595703  0.258985  0.359329  1
  H  H11  1  0.360175  0.508985  0.337421  1
  H  H12  1  0.095703  0.508985  0.359329  1
  H  H13  1  0.860175  0.758985  0.337421  1
  H  H14  1  0.595703  0.758985  0.359329  1
  H  H15  1  0.360175  1.008985  0.337421  1
  H  H16  1  0.095703  1.008985  0.359329  1
  H  H17  1  0.831191  1.008985  0.381336  1
  H  H18  1  0.566680  1.008985  0.403793  1
  H  H19  1  0.331191  0.258985  0.381336  1
  H  H20  1  0.066680  0.258985  0.403793  1
  H  H21  1  0.831191  0.508985  0.381336  1
  H  H22  1  0.566680  0.508985  0.403793  1
  H  H23  1  0.331191  0.758985  0.381336  1
  H  H24  1  0.066680  0.758985  0.403793  1
  H  H25  1  0.802332  0.758985  0.425358  1
  H  H26  1  0.539258  0.758985  0.449004  1
  H  H27  1  0.302332  1.008985  0.425358  1
  H  H28  1  0.039258  1.008985  0.449004  1
  H  H29  1  0.802332  0.258985  0.425358  1
  H  H30  1  0.539258  0.258985  0.449004  1
  H  H31  1  0.302332  0.508985  0.425358  1
  H  H32  1  0.039258  0.508985  0.449004  1
  H  H33  1  0.802391  0.758985  0.472859  1
  H  H34  1  0.566707  0.508985  0.494105  1
  H  H35  1  0.302391  1.008985  0.472859  1
  H  H36  1  0.066707  0.758985  0.494105  1
  H  H37  1  0.802391  0.258985  0.472859  1
  H  H38  1  0.566707  1.008985  0.494105  1
  H  H39  1  0.302391  0.508985  0.472859  1
  H  H40  1  0.066707  0.258985  0.494105  1
  H  H41  1  0.831395  0.508985  0.517060  1
  H  H42  1  0.595711  0.258985  0.538306  1
  H  H43  1  0.331395  0.758985  0.517060  1
  H  H44  1  0.095711  0.508985  0.538306  1
  H  H45  1  0.831395  1.008985  0.517060  1
  H  H46  1  0.595711  0.758985  0.538306  1
  H  H47  1  0.331395  0.258985  0.517060  1
  H  H48  1  0.095711  1.008985  0.538306  1
  H  H49  1  0.858844  0.258985  0.562161  1
  H  H50  1  0.595770  0.258985  0.585807  1
  H  H51  1  0.358844  0.508985  0.562161  1
  H  H52  1  0.095770  0.508985  0.585807  1
  H  H53  1  0.858844  0.758985  0.562161  1
  H  H54  1  0.595770  0.758985  0.585807  1
  H  H55  1  0.358844  1.008985  0.562161  1
  H  H56  1  0.095770  1.008985  0.585807  1
  H  H57  1  0.831422  1.008985  0.607372  1
  H  H58  1  0.566911  1.008985  0.629829  1
  H  H59  1  0.331422  0.258985  0.607372  1
  H  H60  1  0.066911  0.258985  0.629829  1
  H  H61  1  0.831422  0.508985  0.607372  1
  H  H62  1  0.566911  0.508985  0.629829  1
  H  H63  1  0.331422  0.758985  0.607372  1
  H  H64  1  0.066911  0.758985  0.629829  1
  H  H65  1  0.802399  0.758985  0.651836  1
  H  H66  1  0.537927  0.758985  0.673744  1
  H  H67  1  0.302399  1.008985  0.651836  1
  H  H68  1  0.037927  1.008985  0.673744  1
  H  H69  1  0.802399  0.258985  0.651836  1
  H  H70  1  0.537927  0.258985  0.673744  1
  H  H71  1  0.302399  0.508985  0.651836  1
  H  H72  1  0.037927  0.508985  0.673744  1
  H  H73  1  0.773821  0.508985  0.696250  1
  H  H74  1  0.510554  0.508985  0.718748  1
  H  H75  1  0.273821  0.758985  0.696250  1
  H  H76  1  0.010554  0.758985  0.718748  1
  H  H77  1  0.773821  1.008985  0.696250  1
  H  H78  1  0.510554  1.008985  0.718748  1
  H  H79  1  0.273821  0.258985  0.696250  1
  H  H80  1  0.010554  0.258985  0.718748  1
