# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.29399963
_cell_length_b   9.73824152
_cell_length_c   46.20989070
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.26682193
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H52
_cell_volume   1025.18699142
_cell_formula_units_Z   26
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  0.705964  0.593241  0.277828  1
  H  H2  1  0.979275  0.046795  0.292063  1
  H  H3  1  0.584612  0.835957  0.280048  1
  H  H4  1  0.859398  0.285868  0.295943  1
  H  H5  1  0.263965  0.477035  0.313895  1
  H  H6  1  0.543825  0.917422  0.327783  1
  H  H7  1  0.145612  0.713761  0.315939  1
  H  H8  1  0.425654  0.153510  0.331521  1
  H  H9  1  0.828451  0.347989  0.346963  1
  H  H10  1  0.107046  0.790733  0.363142  1
  H  H11  1  0.707775  0.589273  0.350677  1
  H  H12  1  0.989077  0.026545  0.366311  1
  H  H13  1  0.390960  0.222830  0.380984  1
  H  H14  1  0.670776  0.663095  0.398091  1
  H  H15  1  0.271282  0.462098  0.384285  1
  H  H16  1  0.551937  0.900652  0.401228  1
  H  H17  1  0.953244  0.098059  0.415344  1
  H  H18  1  0.234200  0.536068  0.432492  1
  H  H19  1  0.833833  0.336812  0.418464  1
  H  H20  1  0.114767  0.774819  0.435781  1
  H  H21  1  0.515687  0.972986  0.449825  1
  H  H22  1  0.797079  0.410120  0.466906  1
  H  H23  1  0.396341  0.211596  0.452826  1
  H  H24  1  0.677617  0.648943  0.470077  1
  H  H25  1  0.078359  0.847461  0.484224  1
  H  H26  1  0.359768  0.284553  0.501339  1
  H  H27  1  0.958919  0.086248  0.487276  1
  H  H28  1  0.240327  0.523340  0.504391  1
  H  H29  1  0.641070  0.721859  0.518538  1
  H  H30  1  0.922345  0.159206  0.535789  1
  H  H31  1  0.521607  0.960681  0.521709  1
  H  H32  1  0.803000  0.397815  0.538790  1
  H  H33  1  0.203920  0.595983  0.552833  1
  H  H34  1  0.484854  0.033990  0.570151  1
  H  H35  1  0.084486  0.834733  0.556122  1
  H  H36  1  0.365443  0.272743  0.573271  1
  H  H37  1  0.766750  0.470149  0.587387  1
  H  H38  1  0.047405  0.908704  0.604330  1
  H  H39  1  0.647911  0.707706  0.590523  1
  H  H40  1  0.927727  0.147972  0.607631  1
  H  H41  1  0.329610  0.344257  0.622304  1
  H  H42  1  0.610912  0.781529  0.637938  1
  H  H43  1  0.211640  0.580069  0.625473  1
  H  H44  1  0.490236  0.022813  0.641652  1
  H  H45  1  0.893033  0.217291  0.657094  1
  H  H46  1  0.173074  0.657040  0.672676  1
  H  H47  1  0.774862  0.453380  0.660832  1
  H  H48  1  0.054721  0.893767  0.674719  1
  H  H49  1  0.459289  0.084933  0.692672  1
  H  H50  1  0.734075  0.534844  0.708567  1
  H  H51  1  0.339412  0.324007  0.696552  1
  H  H52  1  0.612723  0.777561  0.710787  1
