# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14988788
_cell_length_b   5.05047074
_cell_length_c   47.70210186
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.65333157
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H40
_cell_volume   1067.33519936
_cell_formula_units_Z   20
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  0.398571  0.797142  0.321493  1
  H  H2  1  0.142746  0.285492  0.287203  1
  H  H3  1  0.736381  0.472762  0.299754  1
  H  H4  1  0.804936  0.609872  0.308942  1
  H  H5  1  0.722951  0.445901  0.364971  1
  H  H6  1  0.467126  0.934252  0.330681  1
  H  H7  1  0.060761  0.121522  0.343232  1
  H  H8  1  0.129316  0.258632  0.352421  1
  H  H9  1  0.047331  0.094661  0.408449  1
  H  H10  1  0.791506  0.583012  0.374160  1
  H  H11  1  0.385141  0.770281  0.386710  1
  H  H12  1  0.453696  0.907391  0.395899  1
  H  H13  1  0.371710  0.743420  0.451927  1
  H  H14  1  0.115886  0.231771  0.417638  1
  H  H15  1  0.709520  0.419041  0.430188  1
  H  H16  1  0.778076  0.556151  0.439377  1
  H  H17  1  0.696090  0.392180  0.495406  1
  H  H18  1  0.440265  0.880531  0.461116  1
  H  H19  1  0.033900  0.067800  0.473667  1
  H  H20  1  0.102455  0.204910  0.482855  1
  H  H21  1  0.020470  0.040940  0.538884  1
  H  H22  1  0.764645  0.529290  0.504594  1
  H  H23  1  0.358280  0.716560  0.517145  1
  H  H24  1  0.426835  0.853670  0.526334  1
  H  H25  1  0.344850  0.689699  0.582362  1
  H  H26  1  0.089025  0.178050  0.548073  1
  H  H27  1  0.682660  0.365319  0.560623  1
  H  H28  1  0.751215  0.502430  0.569812  1
  H  H29  1  0.669229  0.338459  0.625840  1
  H  H30  1  0.413405  0.826809  0.591551  1
  H  H31  1  0.007040  0.014079  0.604101  1
  H  H32  1  0.075595  0.151189  0.613290  1
  H  H33  1  0.993609  0.987218  0.669319  1
  H  H34  1  0.737785  0.475569  0.635029  1
  H  H35  1  0.331419  0.662838  0.647580  1
  H  H36  1  0.399974  0.799949  0.656768  1
  H  H37  1  0.317989  0.635978  0.712797  1
  H  H38  1  0.062164  0.124328  0.678508  1
  H  H39  1  0.655799  0.311598  0.691058  1
  H  H40  1  0.724354  0.448708  0.700247  1
