# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01275865
_cell_length_b   4.15169455
_cell_length_c   51.61108137
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.08233063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H72
_cell_volume   1488.32325777
_cell_formula_units_Z   36
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  1.035751  0.104633  0.274100  1
  H  H2  1  0.364847  0.257092  0.252181  1
  H  H3  1  0.702030  0.185283  0.264109  1
  H  H4  1  0.867654  0.646964  0.268889  1
  H  H5  1  0.187498  0.563858  0.282438  1
  H  H6  1  0.531430  0.722649  0.258815  1
  H  H7  1  0.969728  0.816401  0.311869  1
  H  H8  1  0.342928  -0.000942  0.290708  1
  H  H9  1  0.657247  0.896923  0.300920  1
  H  H10  1  0.815269  0.355767  0.305879  1
  H  H11  1  0.123476  0.266476  0.318615  1
  H  H12  1  0.498848  0.443285  0.295983  1
  H  H13  1  0.900621  0.536648  0.348072  1
  H  H14  1  0.277706  0.711482  0.325694  1
  H  H15  1  0.590312  0.623109  0.336858  1
  H  H16  1  0.745774  0.081752  0.342249  1
  H  H17  1  1.054276  -0.012163  0.354533  1
  H  H18  1  0.434018  0.165361  0.331705  1
  H  H19  1  0.829031  0.260155  0.384206  1
  H  H20  1  0.208104  0.437471  0.361153  1
  H  H21  1  0.518795  0.349056  0.372734  1
  H  H22  1  0.674274  0.805391  0.378332  1
  H  H23  1  0.982959  0.712857  0.390400  1
  H  H24  1  0.363220  0.891683  0.367139  1
  H  H25  1  0.756970  -0.015025  0.420190  1
  H  H26  1  0.137059  0.164804  0.396706  1
  H  H27  1  0.447054  0.074570  0.408509  1
  H  H28  1  0.602197  0.530174  0.414296  1
  H  H29  1  0.911263  0.438576  0.426259  1
  H  H30  1  0.291812  0.618986  0.402721  1
  H  H31  1  0.684864  0.710601  0.456060  1
  H  H32  1  1.065563  0.891590  0.432402  1
  H  H33  1  0.375114  0.800595  0.444298  1
  H  H34  1  0.530057  0.255784  0.450153  1
  H  H35  1  0.839362  0.164541  0.462082  1
  H  H36  1  0.220195  0.345606  0.438414  1
  H  H37  1  0.612920  0.436803  0.491846  1
  H  H38  1  0.993753  0.617867  0.468178  1
  H  H39  1  0.303059  0.526624  0.480107  1
  H  H40  1  0.458001  -0.018187  0.485962  1
  H  H41  1  0.767553  0.890819  0.497858  1
  H  H42  1  0.148251  0.071808  0.474200  1
  H  H43  1  0.541303  0.163422  0.527539  1
  H  H44  1  0.921852  0.343832  0.504001  1
  H  H45  1  0.230919  0.252235  0.515964  1
  H  H46  1  0.386061  0.707838  0.521752  1
  H  H47  1  0.696056  0.617604  0.533555  1
  H  H48  1  1.076145  0.797434  0.510070  1
  H  H49  1  0.469895  0.890725  0.563121  1
  H  H50  1  0.850156  0.069551  0.539861  1
  H  H51  1  0.158841  0.977017  0.551929  1
  H  H52  1  0.314320  0.433352  0.557527  1
  H  H53  1  0.625012  0.344938  0.569108  1
  H  H54  1  1.004085  0.522254  0.546054  1
  H  H55  1  0.399098  0.617048  0.598556  1
  H  H56  1  0.778839  0.794571  0.575728  1
  H  H57  1  1.087341  0.700656  0.588011  1
  H  H58  1  0.242803  0.159299  0.593402  1
  H  H59  1  0.555410  0.070927  0.604566  1
  H  H60  1  0.932495  0.245760  0.582188  1
  H  H61  1  0.334267  0.339124  0.634278  1
  H  H62  1  0.709639  0.515932  0.611646  1
  H  H63  1  1.017846  0.426641  0.624382  1
  H  H64  1  0.175868  0.885485  0.629340  1
  H  H65  1  0.490187  0.783350  0.639553  1
  H  H66  1  0.863388  0.966007  0.618392  1
  H  H67  1  0.301685  0.059759  0.671445  1
  H  H68  1  0.645617  0.218550  0.647822  1
  H  H69  1  0.965461  0.135445  0.661372  1
  H  H70  1  0.131086  0.597125  0.666151  1
  H  H71  1  0.468268  0.525316  0.678080  1
  H  H72  1  0.797365  0.677775  0.656161  1
