# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84844553
_cell_length_b   17.69983940
_cell_length_c   48.63360349
_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   H120
_cell_volume   3312.76874139
_cell_formula_units_Z   60
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  0.506571  0.358345  1
  H  H2  1  0.571763  0.273002  0.302789  1
  H  H3  1  0.571763  0.889787  0.330567  1
  H  H4  1  0.928237  0.773002  0.302789  1
  H  H5  1  0.928237  0.389787  0.330567  1
  H  H6  1  0.928237  0.006571  0.358345  1
  H  H7  1  0.071763  0.413047  0.336100  1
  H  H8  1  0.071763  0.029832  0.363877  1
  H  H9  1  0.071763  0.796263  0.308322  1
  H  H10  1  0.428237  0.529832  0.363877  1
  H  H11  1  0.428237  0.296263  0.308322  1
  H  H12  1  0.428237  0.913047  0.336100  1
  H  H13  1  0.571763  0.698179  0.344456  1
  H  H14  1  0.571763  0.314964  0.372234  1
  H  H15  1  0.571763  0.081394  0.316678  1
  H  H16  1  0.928237  0.581394  0.316678  1
  H  H17  1  0.928237  0.198179  0.344456  1
  H  H18  1  0.928237  0.814964  0.372234  1
  H  H19  1  0.071763  0.604655  0.322211  1
  H  H20  1  0.071763  0.221440  0.349989  1
  H  H21  1  0.071763  0.987870  0.294433  1
  H  H22  1  0.428237  0.487870  0.294433  1
  H  H23  1  0.428237  0.104655  0.322211  1
  H  H24  1  0.428237  0.721440  0.349989  1
  H  H25  1  0.571763  0.356926  0.441678  1
  H  H26  1  0.571763  0.123356  0.386123  1
  H  H27  1  0.571763  0.740141  0.413900  1
  H  H28  1  0.928237  0.623356  0.386123  1
  H  H29  1  0.928237  0.240141  0.413900  1
  H  H30  1  0.928237  0.856926  0.441678  1
  H  H31  1  0.071763  0.263402  0.419433  1
  H  H32  1  0.071763  0.880186  0.447211  1
  H  H33  1  0.071763  0.646617  0.391655  1
  H  H34  1  0.428237  0.380186  0.447211  1
  H  H35  1  0.428237  0.146617  0.391655  1
  H  H36  1  0.428237  0.763402  0.419433  1
  H  H37  1  0.571763  0.548533  0.427789  1
  H  H38  1  0.571763  0.165318  0.455567  1
  H  H39  1  0.571763  0.931749  0.400011  1
  H  H40  1  0.928237  0.431749  0.400011  1
  H  H41  1  0.928237  0.048533  0.427789  1
  H  H42  1  0.928237  0.665318  0.455567  1
  H  H43  1  0.071763  0.455009  0.405544  1
  H  H44  1  0.071763  0.071794  0.433322  1
  H  H45  1  0.071763  0.838225  0.377766  1
  H  H46  1  0.428237  0.338225  0.377766  1
  H  H47  1  0.428237  0.955009  0.405544  1
  H  H48  1  0.428237  0.571794  0.433322  1
  H  H49  1  0.571763  0.207280  0.525011  1
  H  H50  1  0.571763  0.973710  0.469456  1
  H  H51  1  0.571763  0.590495  0.497234  1
  H  H52  1  0.928237  0.473710  0.469456  1
  H  H53  1  0.928237  0.090495  0.497234  1
  H  H54  1  0.928237  0.707280  0.525011  1
  H  H55  1  0.071763  0.113756  0.502766  1
  H  H56  1  0.071763  0.730541  0.530544  1
  H  H57  1  0.071763  0.496971  0.474989  1
  H  H58  1  0.428237  0.230541  0.530544  1
  H  H59  1  0.428237  0.996971  0.474989  1
  H  H60  1  0.428237  0.613756  0.502766  1
  H  H61  1  0.571763  0.398888  0.511123  1
  H  H62  1  0.571763  0.015672  0.538900  1
  H  H63  1  0.571763  0.782103  0.483345  1
  H  H64  1  0.928237  0.282103  0.483345  1
  H  H65  1  0.928237  0.898888  0.511123  1
  H  H66  1  0.928237  0.515672  0.538900  1
  H  H67  1  0.071763  0.305364  0.488877  1
  H  H68  1  0.071763  0.922148  0.516655  1
  H  H69  1  0.071763  0.688579  0.461100  1
  H  H70  1  0.428237  0.188579  0.461100  1
  H  H71  1  0.428237  0.805364  0.488877  1
  H  H72  1  0.428237  0.422148  0.516655  1
  H  H73  1  0.571763  0.057634  0.608345  1
  H  H74  1  0.571763  0.824065  0.552789  1
  H  H75  1  0.571763  0.440849  0.580567  1
  H  H76  1  0.928237  0.324065  0.552789  1
  H  H77  1  0.928237  0.940849  0.580567  1
  H  H78  1  0.928237  0.557634  0.608345  1
  H  H79  1  0.071763  0.964110  0.586100  1
  H  H80  1  0.071763  0.580895  0.613877  1
  H  H81  1  0.071763  0.347325  0.558322  1
  H  H82  1  0.428237  0.080895  0.613877  1
  H  H83  1  0.428237  0.847325  0.558322  1
  H  H84  1  0.428237  0.464110  0.586100  1
  H  H85  1  0.571763  0.249242  0.594456  1
  H  H86  1  0.571763  0.866027  0.622234  1
  H  H87  1  0.571763  0.632457  0.566678  1
  H  H88  1  0.928237  0.132457  0.566678  1
  H  H89  1  0.928237  0.749242  0.594456  1
  H  H90  1  0.928237  0.366027  0.622234  1
  H  H91  1  0.071763  0.155718  0.572211  1
  H  H92  1  0.071763  0.772503  0.599989  1
  H  H93  1  0.071763  0.538933  0.544433  1
  H  H94  1  0.428237  0.038933  0.544433  1
  H  H95  1  0.428237  0.655718  0.572211  1
  H  H96  1  0.428237  0.272503  0.599989  1
  H  H97  1  0.571763  0.907989  0.691678  1
  H  H98  1  0.571763  0.674419  0.636123  1
  H  H99  1  0.571763  0.291204  0.663900  1
  H  H100  1  0.928237  0.174419  0.636123  1
  H  H101  1  0.928237  0.791204  0.663900  1
  H  H102  1  0.928237  0.407989  0.691678  1
  H  H103  1  0.071763  0.814464  0.669433  1
  H  H104  1  0.071763  0.431249  0.697211  1
  H  H105  1  0.071763  0.197680  0.641655  1
  H  H106  1  0.428237  0.931249  0.697211  1
  H  H107  1  0.428237  0.697680  0.641655  1
  H  H108  1  0.428237  0.314464  0.669433  1
  H  H109  1  0.571763  0.099596  0.677789  1
  H  H110  1  0.571763  0.716381  0.705567  1
  H  H111  1  0.571763  0.482811  0.650011  1
  H  H112  1  0.928237  0.982811  0.650011  1
  H  H113  1  0.928237  0.599596  0.677789  1
  H  H114  1  0.928237  0.216381  0.705567  1
  H  H115  1  0.071763  0.006072  0.655544  1
  H  H116  1  0.071763  0.622857  0.683322  1
  H  H117  1  0.071763  0.389287  0.627766  1
  H  H118  1  0.428237  0.889287  0.627766  1
  H  H119  1  0.428237  0.506072  0.655544  1
  H  H120  1  0.428237  0.122857  0.683322  1
