# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04144137
_cell_length_b   7.58793401
_cell_length_c   46.81514008
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.48263905
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H63
_cell_volume   1065.64859024
_cell_formula_units_Z   31
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  0.622350  0.553672  0.288504  1
  H  H2  1  0.913586  0.217559  0.295596  1
  H  H3  1  0.331114  0.889786  0.281412  1
  H  H4  1  0.508726  0.546169  0.307647  1
  H  H5  1  0.799962  0.210055  0.314739  1
  H  H6  1  0.217490  0.882282  0.300555  1
  H  H7  1  0.374282  0.537290  0.330297  1
  H  H8  1  0.665518  0.201177  0.337389  1
  H  H9  1  0.083046  0.873404  0.323205  1
  H  H10  1  0.250999  0.529149  0.351066  1
  H  H11  1  0.542235  0.193035  0.358159  1
  H  H12  1  0.959763  0.865262  0.343974  1
  H  H13  1  0.123119  0.520703  0.372610  1
  H  H14  1  0.414355  0.184590  0.379703  1
  H  H15  1  0.831884  0.856817  0.365518  1
  H  H16  1  0.997454  0.512404  0.393781  1
  H  H17  1  0.288690  0.176291  0.400873  1
  H  H18  1  0.706218  0.848518  0.386689  1
  H  H19  1  0.870783  0.504039  0.415122  1
  H  H20  1  0.162019  0.167926  0.422214  1
  H  H21  1  0.579548  0.840153  0.408029  1
  H  H22  1  0.744583  0.495705  0.436383  1
  H  H23  1  0.035819  0.159591  0.443475  1
  H  H24  1  0.453347  0.831818  0.429290  1
  H  H25  1  0.618167  0.487356  0.457680  1
  H  H26  1  0.909402  0.151243  0.464772  1
  H  H27  1  0.326931  0.823470  0.450588  1
  H  H28  1  0.491847  0.479014  0.478961  1
  H  H29  1  0.783083  0.142901  0.486053  1
  H  H30  1  0.200611  0.815128  0.471869  1
  H  H31  1  0.365491  0.470670  0.500249  1
  H  H32  1  0.656726  0.134556  0.507341  1
  H  H33  1  0.074255  0.806783  0.493156  1
  H  H34  1  0.239134  0.462325  0.521536  1
  H  H35  1  0.530370  0.126212  0.528628  1
  H  H36  1  0.947898  0.798439  0.514444  1
  H  H37  1  0.112815  0.453983  0.542817  1
  H  H38  1  0.404050  0.117870  0.549909  1
  H  H39  1  0.821579  0.790097  0.535725  1
  H  H40  1  0.986398  0.445635  0.564114  1
  H  H41  1  0.277634  0.109521  0.571207  1
  H  H42  1  0.695163  0.781748  0.557022  1
  H  H43  1  0.860198  0.437300  0.585376  1
  H  H44  1  0.151434  0.101187  0.592468  1
  H  H45  1  0.568962  0.773414  0.578283  1
  H  H46  1  0.733527  0.428935  0.606716  1
  H  H47  1  0.024763  0.092822  0.613808  1
  H  H48  1  0.442291  0.765048  0.599624  1
  H  H49  1  0.607862  0.420636  0.627887  1
  H  H50  1  0.899098  0.084523  0.634979  1
  H  H51  1  0.316626  0.756750  0.620795  1
  H  H52  1  0.479982  0.412191  0.649431  1
  H  H53  1  0.771218  0.076078  0.656523  1
  H  H54  1  0.188746  0.748304  0.642338  1
  H  H55  1  0.356699  0.404049  0.670200  1
  H  H56  1  0.647935  0.067936  0.677292  1
  H  H57  1  0.065464  0.740163  0.663108  1
  H  H58  1  0.222255  0.395171  0.692850  1
  H  H59  1  0.513491  0.059057  0.699942  1
  H  H60  1  0.931020  0.731284  0.685758  1
  H  H61  1  0.108631  0.387667  0.711993  1
  H  H62  1  0.399867  0.051554  0.719085  1
  H  H63  1  0.817396  0.723781  0.704901  1
