# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27863163
_cell_length_b   23.87272402
_cell_length_c   48.61598648
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.63858110
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H132
_cell_volume   2641.76704007
_cell_formula_units_Z   66
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  0.408662  0.314459  0.297855  1
  H  H2  1  0.579477  0.655378  0.279075  1
  H  H3  1  0.249286  0.995391  0.268196  1
  H  H4  1  0.828646  0.155580  0.275435  1
  H  H5  1  0.498652  0.495174  0.264841  1
  H  H6  1  0.660081  0.816934  0.294326  1
  H  H7  1  0.784423  0.066680  0.292757  1
  H  H8  1  0.453365  0.403834  0.280760  1
  H  H9  1  0.624971  0.746729  0.263004  1
  H  H10  1  0.372658  0.243569  0.266320  1
  H  H11  1  0.534671  0.566234  0.296440  1
  H  H12  1  0.203190  0.903504  0.284343  1
  H  H13  1  0.899833  0.297050  0.339548  1
  H  H14  1  0.071292  0.639098  0.321238  1
  H  H15  1  0.739905  0.976813  0.309922  1
  H  H16  1  0.320965  0.139644  0.317339  1
  H  H17  1  0.989965  0.477316  0.306357  1
  H  H18  1  0.151488  0.799609  0.335940  1
  H  H19  1  0.275803  0.049190  0.334169  1
  H  H20  1  0.945169  0.387441  0.322854  1
  H  H21  1  0.116066  0.728805  0.304573  1
  H  H22  1  0.864323  0.226289  0.308101  1
  H  H23  1  0.025922  0.548668  0.338071  1
  H  H24  1  0.695219  0.887015  0.326600  1
  H  H25  1  0.391302  0.279921  0.381165  1
  H  H26  1  0.562541  0.621542  0.362499  1
  H  H27  1  0.231548  0.959815  0.351056  1
  H  H28  1  0.812338  0.122244  0.358517  1
  H  H29  1  0.481653  0.460432  0.347305  1
  H  H30  1  0.642877  0.782203  0.377432  1
  H  H31  1  0.767309  0.031971  0.375602  1
  H  H32  1  0.436458  0.369986  0.364124  1
  H  H33  1  0.607767  0.711983  0.345575  1
  H  H34  1  0.356102  0.209715  0.349272  1
  H  H35  1  0.517282  0.531278  0.379556  1
  H  H36  1  0.186535  0.869530  0.368044  1
  H  H37  1  0.882694  0.262614  0.422651  1
  H  H38  1  0.053937  0.604286  0.403907  1
  H  H39  1  0.722994  0.942522  0.392415  1
  H  H40  1  0.303823  0.105039  0.399911  1
  H  H41  1  0.973073  0.443137  0.388556  1
  H  H42  1  0.134269  0.764811  0.418873  1
  H  H43  1  0.258759  1.014703  0.417041  1
  H  H44  1  0.927916  0.352871  0.405577  1
  H  H45  1  0.099152  0.694617  0.386850  1
  H  H46  1  0.847527  0.192449  0.390618  1
  H  H47  1  1.008684  0.513949  0.420986  1
  H  H48  1  0.677965  0.852238  0.409534  1
  H  H49  1  0.374104  0.245336  0.464088  1
  H  H50  1  0.545345  0.587007  0.445311  1
  H  H51  1  0.214447  0.925264  0.433831  1
  H  H52  1  0.795271  0.087775  0.441320  1
  H  H53  1  0.464539  0.425944  0.429931  1
  H  H54  1  0.625688  0.747492  0.460295  1
  H  H55  1  0.750202  0.997429  0.458468  1
  H  H56  1  0.419332  0.335629  0.446999  1
  H  H57  1  0.590576  0.677339  0.428227  1
  H  H58  1  0.338969  0.175187  0.432015  1
  H  H59  1  0.500116  0.496684  0.462402  1
  H  H60  1  0.169380  0.834915  0.450972  1
  H  H61  1  0.865522  0.228059  0.505504  1
  H  H62  1  0.036764  0.569742  0.486719  1
  H  H63  1  0.705880  0.907972  0.475245  1
  H  H64  1  0.286708  0.070495  0.482736  1
  H  H65  1  0.955972  0.408693  0.471324  1
  H  H66  1  0.117113  0.730201  0.501707  1
  H  H67  1  0.241636  0.980141  0.499885  1
  H  H68  1  0.910751  0.318371  0.488411  1
  H  H69  1  0.081993  0.660054  0.469626  1
  H  H70  1  0.830402  0.157913  0.473423  1
  H  H71  1  0.991543  0.479421  0.503806  1
  H  H72  1  0.660807  0.817618  0.492394  1
  H  H73  1  0.356939  0.210775  0.546903  1
  H  H74  1  0.528183  0.552484  0.528131  1
  H  H75  1  0.197313  0.890684  0.516662  1
  H  H76  1  0.778136  0.053198  0.524158  1
  H  H77  1  0.447400  0.391429  0.512728  1
  H  H78  1  0.608546  0.712926  0.543114  1
  H  H79  1  0.733068  0.962850  0.541299  1
  H  H80  1  0.402171  0.301107  0.529819  1
  H  H81  1  0.573411  0.642777  0.511041  1
  H  H82  1  0.321827  0.140621  0.514835  1
  H  H83  1  0.482976  0.462170  0.545198  1
  H  H84  1  0.152244  0.800338  0.533810  1
  H  H85  1  0.848363  0.193496  0.588280  1
  H  H86  1  0.019600  0.535242  0.569553  1
  H  H87  1  0.688757  0.873410  0.558089  1
  H  H88  1  0.269550  0.035875  0.565596  1
  H  H89  1  0.938831  0.374164  0.554144  1
  H  H90  1  0.099988  0.695665  0.584512  1
  H  H91  1  0.224521  0.945591  0.582715  1
  H  H92  1  0.893578  0.283827  0.571223  1
  H  H93  1  0.064821  0.625499  0.552479  1
  H  H94  1  0.813246  0.123302  0.556257  1
  H  H95  1  0.974442  0.444977  0.586574  1
  H  H96  1  0.643692  0.783074  0.575219  1
  H  H97  1  0.339748  0.176130  0.629555  1
  H  H98  1  0.511057  0.518127  0.611006  1
  H  H99  1  0.180207  0.856142  0.599528  1
  H  H100  1  0.760980  1.018583  0.607086  1
  H  H101  1  0.430233  0.356835  0.595574  1
  H  H102  1  0.591414  0.678398  0.625858  1
  H  H103  1  0.715967  0.928298  0.624073  1
  H  H104  1  0.384975  0.266571  0.612630  1
  H  H105  1  0.556213  0.608192  0.593965  1
  H  H106  1  0.304638  0.105910  0.597698  1
  H  H107  1  0.465862  0.427681  0.627825  1
  H  H108  1  0.135177  0.765869  0.616612  1
  H  H109  1  0.831449  0.159308  0.670557  1
  H  H110  1  1.002347  0.500672  0.652276  1
  H  H111  1  0.671713  0.838923  0.640960  1
  H  H112  1  0.252296  1.001099  0.648530  1
  H  H113  1  0.921593  0.339445  0.637059  1
  H  H114  1  0.083192  0.661825  0.667029  1
  H  H115  1  0.207611  0.911300  0.665207  1
  H  H116  1  0.876223  0.249015  0.653892  1
  H  H117  1  0.047682  0.591064  0.635582  1
  H  H118  1  0.796027  0.088505  0.639190  1
  H  H119  1  0.957550  0.410797  0.668772  1
  H  H120  1  0.626550  0.748469  0.657791  1
  H  H121  1  0.322544  0.141384  0.712126  1
  H  H122  1  0.494151  0.484279  0.694370  1
  H  H123  1  0.163092  0.821434  0.682373  1
  H  H124  1  0.744325  0.984609  0.690787  1
  H  H125  1  0.412844  0.321880  0.678690  1
  H  H126  1  0.574857  0.644545  0.708810  1
  H  H127  1  0.698229  0.892722  0.706934  1
  H  H128  1  0.368038  0.232735  0.696055  1
  H  H129  1  0.538854  0.573655  0.677275  1
  H  H130  1  0.287434  0.071179  0.680804  1
  H  H131  1  0.448863  0.392939  0.710289  1
  H  H132  1  0.118869  0.732533  0.699695  1
