# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.96568093
_cell_length_b   5.66616948
_cell_length_c   47.33340024
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.40494972
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H64
_cell_volume   2501.9683662
_cell_formula_units_Z   32
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  0.258756  0.206221  0.313573  1
  H  H2  1  0.802273  0.488637  0.285795  1
  H  H3  1  0.012117  0.939413  0.311427  1
  H  H4  1  0.555634  0.221830  0.283649  1
  H  H5  1  0.030514  0.847429  0.299684  1
  H  H6  1  0.486997  0.565013  0.327462  1
  H  H7  1  0.240359  0.298205  0.325316  1
  H  H8  1  0.783876  0.580622  0.297538  1
  H  H9  1  0.171722  0.641388  0.369128  1
  H  H10  1  0.715239  0.923805  0.341351  1
  H  H11  1  0.925084  0.374581  0.366983  1
  H  H12  1  0.468601  0.656997  0.339205  1
  H  H13  1  0.943481  0.282596  0.355240  1
  H  H14  1  0.399964  0.000180  0.383017  1
  H  H15  1  0.153325  0.733373  0.380872  1
  H  H16  1  0.696842  0.015789  0.353094  1
  H  H17  1  0.084689  0.076556  0.424684  1
  H  H18  1  0.628206  0.358972  0.396906  1
  H  H19  1  0.838050  0.809748  0.422538  1
  H  H20  1  0.381567  0.092165  0.394760  1
  H  H21  1  0.856447  0.717764  0.410795  1
  H  H22  1  0.312930  0.435348  0.438573  1
  H  H23  1  0.066292  0.168540  0.436427  1
  H  H24  1  0.609809  0.450957  0.408649  1
  H  H25  1  0.997655  0.511723  0.480240  1
  H  H26  1  0.541172  0.794140  0.452462  1
  H  H27  1  0.751017  0.244916  0.478094  1
  H  H28  1  0.294534  0.527332  0.450316  1
  H  H29  1  0.769414  0.152931  0.466351  1
  H  H30  1  0.225897  0.870515  0.494128  1
  H  H31  1  0.979258  0.603708  0.491983  1
  H  H32  1  0.522775  0.886124  0.464205  1
  H  H33  1  0.910622  0.946891  0.535795  1
  H  H34  1  0.454139  0.229307  0.508017  1
  H  H35  1  0.663983  0.680083  0.533649  1
  H  H36  1  0.207500  0.962500  0.505872  1
  H  H37  1  0.682380  0.588099  0.521906  1
  H  H38  1  0.138863  0.305683  0.549684  1
  H  H39  1  0.892225  0.038875  0.547538  1
  H  H40  1  0.435742  0.321292  0.519760  1
  H  H41  1  0.823588  0.382058  0.591351  1
  H  H42  1  0.367105  0.664475  0.563573  1
  H  H43  1  0.576950  0.115251  0.589205  1
  H  H44  1  0.120467  0.397667  0.561427  1
  H  H45  1  0.595347  0.023266  0.577462  1
  H  H46  1  0.051830  0.740850  0.605240  1
  H  H47  1  0.805191  0.474043  0.603094  1
  H  H48  1  0.348708  0.756459  0.575316  1
  H  H49  1  0.736555  0.817226  0.646906  1
  H  H50  1  0.280072  0.099642  0.619128  1
  H  H51  1  0.489916  0.550418  0.644760  1
  H  H52  1  0.033433  0.832835  0.616983  1
  H  H53  1  0.508313  0.458434  0.633017  1
  H  H54  1  0.964796  0.176018  0.660795  1
  H  H55  1  0.718158  0.909210  0.658649  1
  H  H56  1  0.261675  0.191627  0.630872  1
  H  H57  1  0.649521  0.252393  0.702462  1
  H  H58  1  0.193038  0.534810  0.674684  1
  H  H59  1  0.402883  0.985586  0.700316  1
  H  H60  1  0.946400  0.268002  0.672538  1
  H  H61  1  0.421280  0.893601  0.688573  1
  H  H62  1  0.877763  0.611185  0.716351  1
  H  H63  1  0.631124  0.344378  0.714205  1
  H  H64  1  0.174641  0.626794  0.686427  1
