# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37489450
_cell_length_b   4.85026199
_cell_length_c   44.76099316
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   112.22478586
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H60
_cell_volume   1281.18393049
_cell_formula_units_Z   30
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  0.612058  0.813588  0.331156  1
  H  H2  1  0.920008  0.627018  0.335596  1
  H  H3  1  -0.015008  0.125798  0.317759  1
  H  H4  1  0.296996  0.957614  0.322168  1
  H  H5  1  0.839249  0.193620  0.362301  1
  H  H6  1  0.141721  0.033209  0.366391  1
  H  H7  1  0.237562  0.498441  0.345697  1
  H  H8  1  0.541042  0.335963  0.350320  1
  H  H9  1  0.069999  0.591671  0.388310  1
  H  H10  1  0.376598  0.434938  0.393751  1
  H  H11  1  0.451607  0.895596  0.374876  1
  H  H12  1  0.761318  0.730757  0.379645  1
  H  H13  1  0.294809  -0.003186  0.416748  1
  H  H14  1  0.606124  0.841529  0.422037  1
  H  H15  1  0.679044  0.294630  0.403220  1
  H  H16  1  -0.011581  0.139151  0.409102  1
  H  H17  1  0.526369  0.404462  0.444546  1
  H  H18  1  0.835896  0.253167  0.450725  1
  H  H19  1  0.912839  0.697643  0.430174  1
  H  H20  1  0.222728  0.547270  0.436137  1
  H  H21  1  0.761309  0.812623  0.471595  1
  H  H22  1  0.070829  0.662739  0.477968  1
  H  H23  1  0.143164  0.108941  0.458337  1
  H  H24  1  0.454298  0.957043  0.464096  1
  H  H25  1  -0.007387  0.224225  0.499698  1
  H  H26  1  0.303367  0.073363  0.505779  1
  H  H27  1  0.376151  0.518984  0.485925  1
  H  H28  1  0.685330  0.369385  0.492288  1
  H  H29  1  0.225584  0.634610  0.527392  1
  H  H30  1  0.534674  0.485299  0.533827  1
  H  H31  1  0.610688  0.928277  0.513119  1
  H  H32  1  0.919778  0.778966  0.519554  1
  H  H33  1  0.460032  0.044191  0.554658  1
  H  H34  1  0.769212  0.894593  0.561021  1
  H  H35  1  0.841995  0.340214  0.541167  1
  H  H36  1  0.152749  0.189351  0.547248  1
  H  H37  1  0.691064  0.456533  0.582850  1
  H  H38  1  0.002199  0.304635  0.588609  1
  H  H39  1  0.074533  0.750837  0.568978  1
  H  H40  1  0.384054  0.600953  0.575351  1
  H  H41  1  0.922635  0.866306  0.610809  1
  H  H42  1  0.232523  0.715933  0.616772  1
  H  H43  1  0.309466  0.160410  0.596221  1
  H  H44  1  0.618993  0.009114  0.602400  1
  H  H45  1  0.156944  0.274425  0.637844  1
  H  H46  1  0.466318  0.118946  0.643726  1
  H  H47  1  0.539239  0.572047  0.624909  1
  H  H48  1  0.850553  0.416762  0.630198  1
  H  H49  1  0.384044  0.682819  0.667301  1
  H  H50  1  0.693756  0.517980  0.672070  1
  H  H51  1  0.768764  -0.021361  0.653195  1
  H  H52  1  0.075363  0.821905  0.658636  1
  H  H53  1  0.604321  0.077613  0.696626  1
  H  H54  1  0.907801  0.915135  0.701249  1
  H  H55  1  0.003641  0.380367  0.680555  1
  H  H56  1  0.306114  0.219956  0.684645  1
  H  H57  1  0.848366  0.455963  0.724778  1
  H  H58  1  0.160371  0.287778  0.729186  1
  H  H59  1  0.225354  0.786558  0.711350  1
  H  H60  1  0.533304  0.599989  0.715790  1
