# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12143941
_cell_length_b   6.66361657
_cell_length_c   64.84588882
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   64.22922525
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H117
_cell_volume   2382.04151372
_cell_formula_units_Z   58
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  1.094406  0.459794  0.174925  1
  H  H2  1  0.826448  0.424822  0.152030  1
  H  H3  1  1.094406  0.126461  0.174925  1
  H  H4  1  0.452738  0.441945  0.162826  1
  H  H5  1  0.826448  0.091488  0.152030  1
  H  H6  1  1.094406  0.793128  0.174925  1
  H  H7  1  0.452738  0.108611  0.162826  1
  H  H8  1  0.826448  0.758155  0.152030  1
  H  H9  1  0.452738  0.775278  0.162826  1
  H  H10  1  1.000146  0.522967  0.208815  1
  H  H11  1  0.727045  0.482463  0.186171  1
  H  H12  1  1.000146  0.189634  0.208815  1
  H  H13  1  0.365839  0.500177  0.197511  1
  H  H14  1  0.727045  0.149130  0.186171  1
  H  H15  1  1.000146  0.856301  0.208815  1
  H  H16  1  0.365839  0.166844  0.197511  1
  H  H17  1  0.727045  0.815796  0.186171  1
  H  H18  1  0.365839  0.833510  0.197511  1
  H  H19  1  0.909359  0.578973  0.242879  1
  H  H20  1  0.637231  0.539987  0.220147  1
  H  H21  1  0.909359  0.245639  0.242879  1
  H  H22  1  0.272884  0.560565  0.231487  1
  H  H23  1  0.637231  0.206653  0.220147  1
  H  H24  1  0.909359  0.912306  0.242879  1
  H  H25  1  0.272884  0.227232  0.231487  1
  H  H26  1  0.637231  0.873320  0.220147  1
  H  H27  1  0.272884  0.893898  0.231487  1
  H  H28  1  0.817762  0.637248  0.276945  1
  H  H29  1  0.545366  0.598697  0.254213  1
  H  H30  1  0.817762  0.303915  0.276945  1
  H  H31  1  0.181639  0.617993  0.265584  1
  H  H32  1  0.545366  0.265364  0.254213  1
  H  H33  1  0.817762  0.970581  0.276945  1
  H  H34  1  0.181639  0.284659  0.265584  1
  H  H35  1  0.545366  0.932030  0.254213  1
  H  H36  1  0.181639  0.951326  0.265584  1
  H  H37  1  0.726275  0.695243  0.311025  1
  H  H38  1  0.453936  0.656657  0.288301  1
  H  H39  1  0.726275  0.361910  0.311025  1
  H  H40  1  1.090135  0.675847  0.299666  1
  H  H41  1  0.453936  0.323324  0.288301  1
  H  H42  1  0.726275  0.028576  0.311025  1
  H  H43  1  1.090135  0.342514  0.299666  1
  H  H44  1  0.453936  0.989990  0.288301  1
  H  H45  1  1.090135  1.009180  0.299666  1
  H  H46  1  0.634803  0.753159  0.345106  1
  H  H47  1  0.362468  0.714515  0.322385  1
  H  H48  1  0.634803  0.419826  0.345106  1
  H  H49  1  0.998629  0.733848  0.333746  1
  H  H50  1  0.362468  0.381182  0.322385  1
  H  H51  1  0.634803  0.086492  0.345106  1
  H  H52  1  0.998629  0.400514  0.333746  1
  H  H53  1  0.362468  0.047848  0.322385  1
  H  H54  1  0.998629  0.067181  0.333746  1
  H  H55  1  0.543316  0.811097  0.379188  1
  H  H56  1  0.270975  0.772466  0.356467  1
  H  H57  1  0.543316  0.477763  0.379188  1
  H  H58  1  0.907146  0.791781  0.367827  1
  H  H59  1  0.270975  0.439133  0.356467  1
  H  H60  1  0.543316  0.144430  0.379188  1
  H  H61  1  0.907146  0.458448  0.367827  1
  H  H62  1  0.270975  0.105799  0.356467  1
  H  H63  1  0.907146  0.125115  0.367827  1
  H  H64  1  0.451824  0.869047  0.413269  1
  H  H65  1  0.179489  0.830404  0.390548  1
  H  H66  1  0.451824  0.535714  0.413269  1
  H  H67  1  0.815663  0.849715  0.401909  1
  H  H68  1  0.179489  0.497070  0.390548  1
  H  H69  1  0.451824  0.202381  0.413269  1
  H  H70  1  0.815663  0.516382  0.401909  1
  H  H71  1  0.179489  0.163737  0.390548  1
  H  H72  1  0.815663  0.183048  0.401909  1
  H  H73  1  0.360355  0.926905  0.447354  1
  H  H74  1  1.088016  0.888320  0.424630  1
  H  H75  1  0.360355  0.593572  0.447354  1
  H  H76  1  0.724156  0.907715  0.435989  1
  H  H77  1  1.088016  0.554986  0.424630  1
  H  H78  1  0.360355  0.260239  0.447354  1
  H  H79  1  0.724156  0.574382  0.435989  1
  H  H80  1  1.088016  0.221653  0.424630  1
  H  H81  1  0.724156  0.241049  0.435989  1
  H  H82  1  0.268925  0.984866  0.481442  1
  H  H83  1  0.996529  0.946314  0.458709  1
  H  H84  1  0.268925  0.651532  0.481442  1
  H  H85  1  0.632652  0.965570  0.470071  1
  H  H86  1  0.996529  0.612981  0.458709  1
  H  H87  1  0.268925  0.318199  0.481442  1
  H  H88  1  0.632652  0.632237  0.470071  1
  H  H89  1  0.996529  0.279648  0.458709  1
  H  H90  1  0.632652  0.298903  0.470071  1
  H  H91  1  0.177061  0.043576  0.515508  1
  H  H92  1  0.904932  1.004590  0.492775  1
  H  H93  1  0.177061  0.710242  0.515508  1
  H  H94  1  0.541407  0.022998  0.504168  1
  H  H95  1  0.904932  0.671256  0.492775  1
  H  H96  1  0.177061  0.376909  0.515508  1
  H  H97  1  0.541407  0.689664  0.504168  1
  H  H98  1  0.904932  0.337923  0.492775  1
  H  H99  1  0.541407  0.356331  0.504168  1
  H  H100  1  1.087246  0.101099  0.549484  1
  H  H101  1  0.814145  0.060595  0.526840  1
  H  H102  1  1.087246  0.767766  0.549484  1
  H  H103  1  0.448452  0.083386  0.538144  1
  H  H104  1  0.814145  0.727262  0.526840  1
  H  H105  1  1.087246  0.434433  0.549484  1
  H  H106  1  0.448452  0.750052  0.538144  1
  H  H107  1  0.814145  0.393928  0.526840  1
  H  H108  1  0.448452  0.416719  0.538144  1
  H  H109  1  0.987844  0.158741  0.583625  1
  H  H110  1  0.719885  0.123768  0.560730  1
  H  H111  1  0.987844  0.825407  0.583625  1
  H  H112  1  0.361553  0.141618  0.572829  1
  H  H113  1  0.719885  0.790435  0.560730  1
  H  H114  1  0.987844  0.492074  0.583625  1
  H  H115  1  0.361553  0.808285  0.572829  1
  H  H116  1  0.719885  0.457102  0.560730  1
  H  H117  1  0.361553  0.474951  0.572829  1
