# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.29075718
_cell_length_b   9.66479658
_cell_length_c   52.85574212
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H60
_cell_volume   1170.21038829
_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  0.573173  0.146495  0.276301  1
  H  H2  1  0.573173  0.911908  0.230492  1
  H  H3  1  0.573173  0.539841  0.265890  1
  H  H4  1  1.073173  0.334377  0.256277  1
  H  H5  1  1.073173  0.120673  0.238050  1
  H  H6  1  0.073173  0.723389  0.247622  1
  H  H7  1  0.573173  0.966979  0.305769  1
  H  H8  1  0.573173  0.753839  0.285777  1
  H  H9  1  0.573173  0.360836  0.295100  1
  H  H10  1  0.073173  0.173870  0.313758  1
  H  H11  1  1.073173  0.939746  0.268448  1
  H  H12  1  0.073173  0.568700  0.303688  1
  H  H13  1  0.573173  0.810205  0.360877  1
  H  H14  1  0.573173  0.597165  0.341110  1
  H  H15  1  0.573173  0.202187  0.351231  1
  H  H16  1  0.073173  -0.004926  0.343318  1
  H  H17  1  1.073173  0.781966  0.323281  1
  H  H18  1  1.073173  0.389728  0.332933  1
  H  H19  1  0.573173  0.653489  0.416068  1
  H  H20  1  0.573173  0.418167  0.370643  1
  H  H21  1  0.573173  0.023385  0.380863  1
  H  H22  1  0.073173  0.838443  0.398433  1
  H  H23  1  0.073173  0.625272  0.378582  1
  H  H24  1  0.073173  0.230513  0.388674  1
  H  H25  1  0.573173  0.474734  0.445792  1
  H  H26  1  0.573173  0.258731  0.426148  1
  H  H27  1  0.573173  0.866721  0.435960  1
  H  H28  1  1.073173  0.681745  0.453561  1
  H  H29  1  1.073173  0.446468  0.408251  1
  H  H30  1  1.073173  0.051694  0.418378  1
  H  H31  1  0.573173  0.315239  0.501191  1
  H  H32  1  0.573173  0.079962  0.455881  1
  H  H33  1  0.573173  0.710013  0.491063  1
  H  H34  1  1.073173  0.502977  0.483293  1
  H  H35  1  1.073173  0.286974  0.463650  1
  H  H36  1  0.073173  0.894987  0.473481  1
  H  H37  1  0.573173  0.136435  0.530860  1
  H  H38  1  0.573173  0.923265  0.511009  1
  H  H39  1  0.573173  0.531195  0.520768  1
  H  H40  1  1.073173  0.343541  0.538799  1
  H  H41  1  1.073173  0.108218  0.493373  1
  H  H42  1  1.073173  0.738323  0.528579  1
  H  H43  1  0.573173  0.979741  0.586161  1
  H  H44  1  0.573173  0.766633  0.566124  1
  H  H45  1  0.573173  0.371979  0.576508  1
  H  H46  1  1.073173  0.164543  0.568332  1
  H  H47  1  1.073173  0.951502  0.548565  1
  H  H48  1  1.073173  0.559521  0.558210  1
  H  H49  1  0.573173  0.821961  0.640993  1
  H  H50  1  0.573173  0.587837  0.595684  1
  H  H51  1  0.573173  0.193007  0.605753  1
  H  H52  1  1.073173  0.007869  0.623665  1
  H  H53  1  1.073173  0.794729  0.603672  1
  H  H54  1  1.073173  0.400871  0.614341  1
  H  H55  1  0.573173  0.641035  0.671391  1
  H  H56  1  0.573173  0.427330  0.653164  1
  H  H57  1  0.573173  0.038319  0.661820  1
  H  H58  1  1.073173  0.849800  0.678950  1
  H  H59  1  1.073173  0.615213  0.633141  1
  H  H60  1  1.073173  0.221867  0.643551  1
