# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53731785
_cell_length_b   4.00454858
_cell_length_c   44.09271621
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   110.15010086
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H44
_cell_volume   917.888429895
_cell_formula_units_Z   22
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  0.138318  0.844847  0.350664  1
  H  H2  1  0.583997  1.032068  0.332296  1
  H  H3  1  0.936640  0.269233  0.362295  1
  H  H4  1  0.356568  0.432033  0.341482  1
  H  H5  1  0.298876  0.543696  0.391401  1
  H  H6  1  0.719750  0.686255  0.370702  1
  H  H7  1  0.086702  0.969208  0.400778  1
  H  H8  1  0.505530  0.115035  0.381920  1
  H  H9  1  0.454932  0.254904  0.430455  1
  H  H10  1  0.875958  0.399120  0.410862  1
  H  H11  1  0.244582  0.682741  0.439978  1
  H  H12  1  0.666832  0.825542  0.420219  1
  H  H13  1  0.611773  0.964010  0.469344  1
  H  H14  1  0.033567  0.109948  0.449699  1
  H  H15  1  0.400536  0.391770  0.479280  1
  H  H16  1  0.822708  0.537277  0.459648  1
  H  H17  1  0.767909  0.673510  0.508634  1
  H  H18  1  0.189703  0.818854  0.489023  1
  H  H19  1  0.557066  0.100941  0.518414  1
  H  H20  1  -0.021203  0.246037  0.498800  1
  H  H21  1  0.924487  0.383379  0.547810  1
  H  H22  1  0.346168  0.528516  0.528240  1
  H  H23  1  0.713637  0.810814  0.557609  1
  H  H24  1  0.135318  0.955951  0.538039  1
  H  H25  1  0.081007  0.093293  0.587050  1
  H  H26  1  0.502738  0.238390  0.567436  1
  H  H27  1  0.870102  0.520476  0.596827  1
  H  H28  1  0.291896  0.665821  0.577216  1
  H  H29  1  0.237096  0.802054  0.626202  1
  H  H30  1  0.659269  0.947560  0.606570  1
  H  H31  1  0.026238  0.229382  0.636150  1
  H  H32  1  0.448031  0.375320  0.616505  1
  H  H33  1  0.392973  0.513789  0.665630  1
  H  H34  1  0.815222  0.656590  0.645871  1
  H  H35  1  0.183846  0.940210  0.674988  1
  H  H36  1  0.604872  0.084426  0.655395  1
  H  H37  1  0.554275  0.224296  0.703929  1
  H  H38  1  0.973103  0.370122  0.685072  1
  H  H39  1  0.340054  0.653075  0.715147  1
  H  H40  1  0.760929  0.795635  0.694448  1
  H  H41  1  0.703236  0.907297  0.744367  1
  H  H42  1  0.123164  0.070098  0.723554  1
  H  H43  1  0.475808  0.307263  0.753554  1
  H  H44  1  0.921487  0.494483  0.735185  1
