# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67927157
_cell_length_b   4.26298198
_cell_length_c   34.93869036
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89645447
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H48
_cell_volume   979.403283132
_cell_formula_units_Z   24
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  0.096459  0.084648  0.448238  1
  H  H2  1  0.759612  0.389494  0.447457  1
  H  H3  1  0.432525  0.223193  0.447146  1
  H  H4  1  0.160061  0.579862  0.475283  1
  H  H5  1  0.821394  -0.135682  0.474358  1
  H  H6  1  0.487483  0.721706  0.474945  1
  H  H7  1  0.253967  0.079554  0.505853  1
  H  H8  1  0.916524  0.336126  0.504763  1
  H  H9  1  0.583992  0.216030  0.505211  1
  H  H10  1  0.335578  0.566981  0.532362  1
  H  H11  1  1.000683  0.822143  0.530917  1
  H  H12  1  0.668210  0.698436  0.531258  1
  H  H13  1  0.427373  0.048585  0.560968  1
  H  H14  1  0.090996  0.310259  0.560101  1
  H  H15  1  0.760180  0.178091  0.560323  1
  H  H16  1  0.512820  0.531043  0.587661  1
  H  H17  1  0.176047  0.795914  0.587266  1
  H  H18  1  0.843957  0.662789  0.587386  1
  H  H19  1  0.600949  0.013645  0.616175  1
  H  H20  1  0.265476  0.279998  0.615679  1
  H  H21  1  0.932979  0.146198  0.615974  1
  H  H22  1  0.686143  0.496945  0.643592  1
  H  H23  1  0.351465  0.762405  0.643050  1
  H  H24  1  1.018224  0.629952  0.643370  1
  H  H25  1  0.774195  -0.020348  0.671940  1
  H  H26  1  0.439517  0.245112  0.671398  1
  H  H27  1  0.107437  0.112105  0.671620  1
  H  H28  1  0.860185  0.462059  0.699311  1
  H  H29  1  0.524712  0.728411  0.698816  1
  H  H30  1  0.192682  0.595859  0.699016  1
  H  H31  1  0.949613  -0.053858  0.727724  1
  H  H32  1  0.612841  0.211014  0.727329  1
  H  H33  1  0.281704  0.079268  0.727604  1
  H  H34  1  1.034665  0.431797  0.754889  1
  H  H35  1  0.698288  0.693472  0.754022  1
  H  H36  1  0.365481  0.563965  0.754667  1
  H  H37  1  0.124978  -0.080086  0.784073  1
  H  H38  1  0.790082  0.175075  0.782628  1
  H  H39  1  0.457451  0.043621  0.783733  1
  H  H40  1  0.209137  0.405931  0.810227  1
  H  H41  1  0.871694  0.662503  0.809137  1
  H  H42  1  0.541668  0.526027  0.809779  1
  H  H43  1  0.304267  -0.122262  0.840632  1
  H  H44  1  0.965600  0.162195  0.839707  1
  H  H45  1  0.638178  0.020350  0.840045  1
  H  H46  1  0.366049  0.352563  0.867534  1
  H  H47  1  1.029201  0.657408  0.866752  1
  H  H48  1  0.693135  0.518864  0.867844  1
