# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27558893
_cell_length_b   7.74313679
_cell_length_c   48.90746881
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.68415293
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H44
_cell_volume   854.020795204
_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  1.006153  0.482685  0.267710  1
  H  H2  1  0.272745  1.013084  0.247407  1
  H  H3  1  0.641171  0.746966  0.257653  1
  H  H4  1  0.376527  0.224312  0.279042  1
  H  H5  1  0.483869  0.441941  0.310259  1
  H  H6  1  0.745267  0.962040  0.289715  1
  H  H7  1  0.114601  0.701550  0.299739  1
  H  H8  1  0.851867  0.180348  0.320724  1
  H  H9  1  0.958250  0.397616  0.352001  1
  H  H10  1  0.220439  0.918940  0.331124  1
  H  H11  1  0.589576  0.658554  0.341523  1
  H  H12  1  0.326781  0.136508  0.362467  1
  H  H13  1  0.432964  0.353736  0.393829  1
  H  H14  1  0.695565  0.875626  0.372931  1
  H  H15  1  0.064309  0.614726  0.383368  1
  H  H16  1  0.801663  0.092786  0.404298  1
  H  H17  1  0.907769  0.309934  0.435666  1
  H  H18  1  0.170369  0.831824  0.414756  1
  H  H19  1  0.539068  0.570877  0.425205  1
  H  H20  1  0.276468  1.048977  0.446127  1
  H  H21  1  0.382565  0.266119  0.477501  1
  H  H22  1  0.645162  0.788017  0.456583  1
  H  H23  1  1.013863  0.527069  0.467040  1
  H  H24  1  0.751266  1.005171  0.487957  1
  H  H25  1  0.857361  0.222311  0.519336  1
  H  H26  1  0.119961  0.744211  0.498413  1
  H  H27  1  0.488659  0.483253  0.508874  1
  H  H28  1  0.226060  0.961364  0.529785  1
  H  H29  1  0.332120  0.178462  0.561173  1
  H  H30  1  0.594766  0.700402  0.540243  1
  H  H31  1  0.963465  0.439452  0.550711  1
  H  H32  1  0.700864  0.917562  0.571610  1
  H  H33  1  0.806852  0.134634  0.603017  1
  H  H34  1  0.069648  0.656679  0.582074  1
  H  H35  1  0.438179  0.395571  0.592539  1
  H  H36  1  0.175989  0.874248  0.613416  1
  H  H37  1  0.281828  0.091637  0.644801  1
  H  H38  1  0.544562  0.612839  0.623817  1
  H  H39  1  0.912560  0.351247  0.634282  1
  H  H40  1  0.651162  0.831147  0.654825  1
  H  H41  1  0.755258  1.046222  0.686887  1
  H  H42  1  1.019902  0.568876  0.665499  1
  H  H43  1  0.390275  0.310503  0.676830  1
  H  H44  1  0.123684  0.780104  0.697134  1
