# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.70355411
_cell_length_b   8.15693312
_cell_length_c   47.97026892
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.89057249
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H88
_cell_volume   1826.3048042
_cell_formula_units_Z   44
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  0.608781  0.540432  0.303038  1
  H  H2  1  0.108781  0.540432  0.303038  1
  H  H3  1  0.828444  0.785275  0.305832  1
  H  H4  1  0.328444  0.785275  0.305832  1
  H  H5  1  0.041158  0.029702  0.308180  1
  H  H6  1  0.541158  0.029702  0.308180  1
  H  H7  1  0.885120  0.294739  0.299018  1
  H  H8  1  0.385120  0.294739  0.299018  1
  H  H9  1  0.402740  0.451507  0.342247  1
  H  H10  1  0.902740  0.451507  0.342247  1
  H  H11  1  0.618097  0.694410  0.345211  1
  H  H12  1  0.118097  0.694410  0.345211  1
  H  H13  1  0.828185  0.938197  0.347863  1
  H  H14  1  0.328185  0.938197  0.347863  1
  H  H15  1  0.693614  0.210098  0.339502  1
  H  H16  1  0.193614  0.210098  0.339502  1
  H  H17  1  0.197096  0.362639  0.381374  1
  H  H18  1  0.697096  0.362639  0.381374  1
  H  H19  1  0.410273  0.604818  0.384110  1
  H  H20  1  0.910273  0.604818  0.384110  1
  H  H21  1  0.619879  0.847575  0.387020  1
  H  H22  1  0.119879  0.847575  0.387020  1
  H  H23  1  0.488536  0.119794  0.378412  1
  H  H24  1  0.988536  0.119794  0.378412  1
  H  H25  1  0.990813  0.272390  0.420521  1
  H  H26  1  0.490813  0.272390  0.420521  1
  H  H27  1  0.203478  0.514804  0.423277  1
  H  H28  1  0.703478  0.514804  0.423277  1
  H  H29  1  0.412232  0.757359  0.426243  1
  H  H30  1  0.912232  0.757359  0.426243  1
  H  H31  1  0.282479  0.029725  0.417507  1
  H  H32  1  0.782479  0.029725  0.417507  1
  H  H33  1  0.784509  0.182189  0.459664  1
  H  H34  1  0.284509  0.182189  0.459664  1
  H  H35  1  0.996955  0.424540  0.462435  1
  H  H36  1  0.496955  0.424540  0.462435  1
  H  H37  1  0.205377  0.667091  0.465440  1
  H  H38  1  0.705377  0.667091  0.465440  1
  H  H39  1  0.076201  0.939607  0.456639  1
  H  H40  1  0.576201  0.939607  0.456639  1
  H  H41  1  0.578123  0.091907  0.498809  1
  H  H42  1  0.078123  0.091907  0.498809  1
  H  H43  1  0.790495  0.334240  0.501585  1
  H  H44  1  0.290495  0.334240  0.501585  1
  H  H45  1  0.998799  0.576792  0.504606  1
  H  H46  1  0.498799  0.576792  0.504606  1
  H  H47  1  0.869819  0.849356  0.495787  1
  H  H48  1  0.369819  0.849356  0.495787  1
  H  H49  1  0.371662  0.001608  0.537959  1
  H  H50  1  0.871662  0.001608  0.537959  1
  H  H51  1  0.584108  0.243959  0.540730  1
  H  H52  1  0.084108  0.243959  0.540730  1
  H  H53  1  0.792416  0.486541  0.543754  1
  H  H54  1  0.292416  0.486541  0.543754  1
  H  H55  1  0.663240  0.759056  0.534954  1
  H  H56  1  0.163240  0.759056  0.534954  1
  H  H57  1  0.165139  0.911343  0.577116  1
  H  H58  1  0.665139  0.911343  0.577116  1
  H  H59  1  0.377804  0.153758  0.579873  1
  H  H60  1  0.877804  0.153758  0.579873  1
  H  H61  1  0.586139  0.396423  0.582887  1
  H  H62  1  0.086139  0.396423  0.582887  1
  H  H63  1  0.456386  0.668789  0.574151  1
  H  H64  1  0.956386  0.668789  0.574151  1
  H  H65  1  0.958344  0.821329  0.616284  1
  H  H66  1  0.458344  0.821329  0.616284  1
  H  H67  1  0.171521  0.063509  0.619019  1
  H  H68  1  0.671521  0.063509  0.619019  1
  H  H69  1  0.380081  0.306353  0.621981  1
  H  H70  1  0.880081  0.306353  0.621981  1
  H  H71  1  0.248738  0.578573  0.613374  1
  H  H72  1  0.748738  0.578573  0.613374  1
  H  H73  1  0.750521  0.731738  0.655183  1
  H  H74  1  0.250521  0.731738  0.655183  1
  H  H75  1  0.965878  0.974640  0.658147  1
  H  H76  1  0.465878  0.974640  0.658147  1
  H  H77  1  0.175003  0.216050  0.660892  1
  H  H78  1  0.675003  0.216050  0.660892  1
  H  H79  1  0.040433  0.487951  0.652531  1
  H  H80  1  0.540433  0.487951  0.652531  1
  H  H81  1  0.540173  0.640872  0.694562  1
  H  H82  1  0.040173  0.640872  0.694562  1
  H  H83  1  0.759836  0.885716  0.697356  1
  H  H84  1  0.259836  0.885716  0.697356  1
  H  H85  1  0.983497  0.131409  0.701376  1
  H  H86  1  0.483497  0.131409  0.701376  1
  H  H87  1  0.827459  0.396446  0.692214  1
  H  H88  1  0.327459  0.396446  0.692214  1
