# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.28138178
_cell_length_b   9.68591526
_cell_length_c   34.37417272
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.51414363
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H39
_cell_volume   759.544812527
_cell_formula_units_Z   19
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  0.050023  0.808863  0.485955  1
  H  H2  1  0.550050  0.419617  0.497177  1
  H  H3  1  0.552307  0.196281  0.474825  1
  H  H4  1  0.550788  0.635265  0.521660  1
  H  H5  1  0.051708  0.244956  0.534212  1
  H  H6  1  0.050798  0.025355  0.510528  1
  H  H7  1  0.051993  0.462023  0.557372  1
  H  H8  1  0.552237  0.071450  0.569269  1
  H  H9  1  0.551500  0.852969  0.546196  1
  H  H10  1  0.552852  0.289451  0.592885  1
  H  H11  1  0.053068  -0.101633  0.604717  1
  H  H12  1  0.052259  0.679990  0.580926  1
  H  H13  1  0.053721  0.116453  0.628255  1
  H  H14  1  0.553877  0.725445  0.639997  1
  H  H15  1  0.553381  0.507476  0.616354  1
  H  H16  1  0.554500  -0.056505  0.663723  1
  H  H17  1  0.054778  0.552586  0.675457  1
  H  H18  1  0.054225  0.334565  0.651876  1
  H  H19  1  0.055345  0.770589  0.699131  1
  H  H20  1  0.555602  0.379624  0.710941  1
  H  H21  1  0.555087  0.161554  0.687320  1
  H  H22  1  0.556189  0.597682  0.734538  1
  H  H23  1  0.056464  0.206612  0.746385  1
  H  H24  1  0.055911  -0.011409  0.722804  1
  H  H25  1  0.056968  0.424724  0.770006  1
  H  H26  1  0.557308  0.033701  0.781907  1
  H  H27  1  0.556812  0.815732  0.758264  1
  H  H28  1  0.557837  0.251727  0.805376  1
  H  H29  1  0.058430  0.861187  0.817335  1
  H  H30  1  0.057621  0.642811  0.793544  1
  H  H31  1  0.058696  0.079154  0.840890  1
  H  H32  1  0.559189  0.688208  0.852065  1
  H  H33  1  0.558452  0.469727  0.828992  1
  H  H34  1  0.559901  -0.094087  0.876601  1
  H  H35  1  0.059891  0.515822  0.887733  1
  H  H36  1  0.058981  0.296221  0.864049  1
  H  H37  1  0.060666  0.732314  0.912306  1
  H  H38  1  0.558382  0.344896  0.923436  1
  H  H39  1  0.560639  0.121561  0.901084  1
