# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.51550163
_cell_length_b   5.05047153
_cell_length_c   49.17028571
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.82015109
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H108
_cell_volume   2784.35413868
_cell_formula_units_Z   54
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  0.043255  0.567446  0.286383  1
  H  H2  1  0.359707  0.402929  0.303050  1
  H  H3  1  0.676159  0.238413  0.319716  1
  H  H4  1  0.032552  0.674480  0.296950  1
  H  H5  1  0.349004  0.509964  0.313617  1
  H  H6  1  0.716100  0.838996  0.280284  1
  H  H7  1  0.201481  0.985187  0.294716  1
  H  H8  1  0.517933  0.820671  0.311383  1
  H  H9  1  0.885030  0.149704  0.278050  1
  H  H10  1  0.190778  0.092222  0.305284  1
  H  H11  1  0.507229  0.927705  0.321950  1
  H  H12  1  0.874326  0.256738  0.288617  1
  H  H13  1  0.992610  0.073896  0.336383  1
  H  H14  1  0.309062  0.909380  0.353050  1
  H  H15  1  0.625514  0.744864  0.369716  1
  H  H16  1  0.981907  0.180931  0.346950  1
  H  H17  1  0.298359  0.016414  0.363617  1
  H  H18  1  0.665455  0.345447  0.330284  1
  H  H19  1  0.150836  0.491638  0.344716  1
  H  H20  1  0.467288  0.327122  0.361383  1
  H  H21  1  0.834385  0.656155  0.328050  1
  H  H22  1  0.140133  0.598673  0.355284  1
  H  H23  1  0.456584  0.434156  0.371950  1
  H  H24  1  0.823681  0.763189  0.338617  1
  H  H25  1  0.941965  0.580347  0.386383  1
  H  H26  1  0.258417  0.415831  0.403050  1
  H  H27  1  0.574869  0.251314  0.419716  1
  H  H28  1  0.931262  0.687382  0.396950  1
  H  H29  1  0.247713  0.522865  0.413617  1
  H  H30  1  0.614810  0.851898  0.380284  1
  H  H31  1  0.100191  0.998089  0.394716  1
  H  H32  1  0.416643  0.833573  0.411383  1
  H  H33  1  0.783739  0.162605  0.378050  1
  H  H34  1  0.089488  0.105123  0.405284  1
  H  H35  1  0.405939  0.940607  0.421950  1
  H  H36  1  0.773036  0.269640  0.388617  1
  H  H37  1  0.891320  0.086798  0.436383  1
  H  H38  1  0.207772  0.922282  0.453050  1
  H  H39  1  0.524223  0.757765  0.469716  1
  H  H40  1  0.880617  0.193832  0.446950  1
  H  H41  1  0.197068  0.029316  0.463617  1
  H  H42  1  0.564165  0.358349  0.430284  1
  H  H43  1  0.049546  0.504540  0.444716  1
  H  H44  1  0.365998  0.340023  0.461383  1
  H  H45  1  0.733094  0.669056  0.428050  1
  H  H46  1  0.038843  0.611574  0.455284  1
  H  H47  1  0.355294  0.447058  0.471950  1
  H  H48  1  0.722391  0.776091  0.438617  1
  H  H49  1  0.840675  0.593249  0.486383  1
  H  H50  1  0.157127  0.428732  0.503050  1
  H  H51  1  0.473578  0.264216  0.519716  1
  H  H52  1  0.829972  0.700283  0.496950  1
  H  H53  1  0.146423  0.535767  0.513617  1
  H  H54  1  0.513520  0.864800  0.480284  1
  H  H55  1  0.998901  0.010991  0.494716  1
  H  H56  1  0.315353  0.846474  0.511383  1
  H  H57  1  0.682449  0.175507  0.478050  1
  H  H58  1  0.988198  0.118025  0.505284  1
  H  H59  1  0.304649  0.953509  0.521950  1
  H  H60  1  0.671746  0.282541  0.488617  1
  H  H61  1  0.790030  0.099700  0.536383  1
  H  H62  1  0.106482  0.935183  0.553050  1
  H  H63  1  0.422933  0.770667  0.569716  1
  H  H64  1  0.779327  0.206734  0.546950  1
  H  H65  1  0.095778  0.042217  0.563617  1
  H  H66  1  0.462875  0.371250  0.530284  1
  H  H67  1  0.948256  0.517441  0.544716  1
  H  H68  1  0.264708  0.352925  0.561383  1
  H  H69  1  0.631804  0.681958  0.528050  1
  H  H70  1  0.937552  0.624476  0.555284  1
  H  H71  1  0.254004  0.459959  0.571950  1
  H  H72  1  0.621101  0.788992  0.538617  1
  H  H73  1  0.739385  0.606150  0.586383  1
  H  H74  1  0.055837  0.441634  0.603050  1
  H  H75  1  0.372288  0.277118  0.619716  1
  H  H76  1  0.728682  0.713185  0.596950  1
  H  H77  1  0.045133  0.548668  0.613617  1
  H  H78  1  0.412230  0.877701  0.580284  1
  H  H79  1  0.897611  0.023892  0.594716  1
  H  H80  1  0.214062  0.859376  0.611383  1
  H  H81  1  0.581159  0.188409  0.578050  1
  H  H82  1  0.886907  0.130926  0.605284  1
  H  H83  1  0.203359  0.966410  0.621950  1
  H  H84  1  0.570456  0.295443  0.588617  1
  H  H85  1  0.688740  0.112601  0.636383  1
  H  H86  1  0.005192  0.948085  0.653050  1
  H  H87  1  0.321643  0.783568  0.669716  1
  H  H88  1  0.678036  0.219635  0.646950  1
  H  H89  1  0.994488  0.055119  0.663617  1
  H  H90  1  0.361585  0.384152  0.630284  1
  H  H91  1  0.846966  0.530343  0.644716  1
  H  H92  1  0.163417  0.365826  0.661383  1
  H  H93  1  0.530514  0.694859  0.628050  1
  H  H94  1  0.836262  0.637377  0.655284  1
  H  H95  1  0.152714  0.472861  0.671950  1
  H  H96  1  0.519811  0.801894  0.638617  1
  H  H97  1  0.638095  0.619052  0.686383  1
  H  H98  1  0.954546  0.454535  0.703050  1
  H  H99  1  0.270998  0.290019  0.719716  1
  H  H100  1  0.627391  0.726086  0.696950  1
  H  H101  1  0.943843  0.561570  0.713617  1
  H  H102  1  0.310940  0.890603  0.680284  1
  H  H103  1  0.796321  0.036794  0.694716  1
  H  H104  1  0.112772  0.872277  0.711383  1
  H  H105  1  0.479869  0.201310  0.678050  1
  H  H106  1  0.785617  0.143828  0.705284  1
  H  H107  1  0.102069  0.979312  0.721950  1
  H  H108  1  0.469166  0.308344  0.688617  1
