# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.26756497
_cell_length_b   4.46949612
_cell_length_c   47.58194793
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.15420789
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H84
_cell_volume   1643.1492842
_cell_formula_units_Z   42
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  0.733191  0.844112  0.291614  1
  H  H2  1  0.164699  0.997474  0.269680  1
  H  H3  1  0.451429  0.902556  0.281318  1
  H  H4  1  0.652539  0.381201  0.284041  1
  H  H5  1  0.935622  0.328154  0.295857  1
  H  H6  1  0.354519  0.451947  0.273269  1
  H  H7  1  0.567918  0.681408  0.325239  1
  H  H8  1  0.015257  0.782673  0.301773  1
  H  H9  1  0.289083  0.738468  0.314735  1
  H  H10  1  0.496728  0.219766  0.317918  1
  H  H11  1  0.776532  0.162084  0.328732  1
  H  H12  1  0.217218  0.273689  0.307999  1
  H  H13  1  0.401688  0.517886  0.357992  1
  H  H14  1  0.846072  0.627960  0.336068  1
  H  H15  1  0.122422  0.574720  0.347144  1
  H  H16  1  0.334385  0.054230  0.350988  1
  H  H17  1  0.613021  0.999364  0.361620  1
  H  H18  1  0.054334  0.107267  0.339744  1
  H  H19  1  0.236493  0.354658  0.390730  1
  H  H20  1  0.680242  0.463245  0.368774  1
  H  H21  1  0.958335  0.408594  0.379711  1
  H  H22  1  0.169794  0.890492  0.383601  1
  H  H23  1  0.448600  0.834966  0.394558  1
  H  H24  1  0.891003  0.945139  0.372692  1
  H  H25  1  0.071927  0.190174  0.423497  1
  H  H26  1  0.515249  0.299132  0.401606  1
  H  H27  1  0.793532  0.244974  0.412567  1
  H  H28  1  0.005239  0.725859  0.416408  1
  H  H29  1  0.283774  0.671137  0.427354  1
  H  H30  1  0.726884  0.780400  0.405451  1
  H  H31  1  0.907374  0.025961  0.456312  1
  H  H32  1  0.350446  0.135410  0.434430  1
  H  H33  1  0.628939  0.080573  0.445367  1
  H  H34  1  0.840660  0.561680  0.449237  1
  H  H35  1  0.119126  0.506922  0.460170  1
  H  H36  1  0.562231  0.616255  0.438301  1
  H  H37  1  0.742741  0.861782  0.489130  1
  H  H38  1  0.185827  0.971242  0.467247  1
  H  H39  1  0.464289  0.916502  0.478186  1
  H  H40  1  0.676043  0.397424  0.482055  1
  H  H41  1  0.954497  0.342731  0.492993  1
  H  H42  1  0.397587  0.452153  0.471114  1
  H  H43  1  0.578110  0.697628  0.521945  1
  H  H44  1  0.021199  0.807050  0.500065  1
  H  H45  1  0.299654  0.752357  0.511003  1
  H  H46  1  0.511408  0.233280  0.514873  1
  H  H47  1  0.789870  0.178539  0.525811  1
  H  H48  1  0.232956  0.288000  0.503929  1
  H  H49  1  0.413466  0.533527  0.554758  1
  H  H50  1  0.856570  0.642860  0.532888  1
  H  H51  1  0.135037  0.588101  0.543821  1
  H  H52  1  0.346757  0.069208  0.547691  1
  H  H53  1  0.625251  0.014371  0.558628  1
  H  H54  1  0.068323  0.123820  0.536747  1
  H  H55  1  0.248812  0.369381  0.587608  1
  H  H56  1  0.691923  0.478645  0.565705  1
  H  H57  1  0.970458  0.423923  0.576650  1
  H  H58  1  0.182165  0.904807  0.580492  1
  H  H59  1  0.460447  0.850649  0.591453  1
  H  H60  1  0.903770  0.959607  0.569562  1
  H  H61  1  0.084694  0.204642  0.620366  1
  H  H62  1  0.527097  0.314816  0.598500  1
  H  H63  1  0.805903  0.259289  0.609458  1
  H  H64  1  0.017362  0.741188  0.613348  1
  H  H65  1  0.295454  0.686536  0.624285  1
  H  H66  1  0.739204  0.795123  0.602329  1
  H  H67  1  0.921363  0.042514  0.653314  1
  H  H68  1  0.362675  0.150417  0.631438  1
  H  H69  1  0.641311  0.095551  0.642070  1
  H  H70  1  0.853275  0.575061  0.645915  1
  H  H71  1  0.129624  0.521822  0.656990  1
  H  H72  1  0.574009  0.631895  0.635067  1
  H  H73  1  0.758479  0.876092  0.685060  1
  H  H74  1  0.199165  0.987697  0.664326  1
  H  H75  1  0.478969  0.930015  0.675141  1
  H  H76  1  0.686613  0.411313  0.678324  1
  H  H77  1  0.960440  0.367108  0.691286  1
  H  H78  1  0.407778  0.468373  0.667820  1
  H  H79  1  0.621178  0.697834  0.719789  1
  H  H80  1  0.040074  0.821628  0.697202  1
  H  H81  1  0.323158  0.768580  0.709017  1
  H  H82  1  0.524268  0.247226  0.711741  1
  H  H83  1  0.810998  0.152307  0.723378  1
  H  H84  1  0.242505  0.305669  0.701444  1
