# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.47019157
_cell_length_b   4.73321877
_cell_length_c   33.10653568
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.13511269
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H78
_cell_volume   1561.57445749
_cell_formula_units_Z   39
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  -0.058707  0.012693  0.513656  1
  H  H2  1  0.554210  0.958838  0.502665  1
  H  H3  1  -0.058707  0.512693  0.513656  1
  H  H4  1  0.330750  0.059893  0.524606  1
  H  H5  1  0.554210  0.458838  0.502665  1
  H  H6  1  0.330750  0.559893  0.524606  1
  H  H7  1  0.111626  0.159246  0.548201  1
  H  H8  1  0.723003  0.106509  0.537109  1
  H  H9  1  0.111626  0.659246  0.548201  1
  H  H10  1  0.498331  0.220187  0.561563  1
  H  H11  1  0.723003  0.606509  0.537109  1
  H  H12  1  0.498331  0.720187  0.561563  1
  H  H13  1  0.276488  0.322909  0.584157  1
  H  H14  1  -0.111838  0.270941  0.573034  1
  H  H15  1  0.276488  0.822909  0.584157  1
  H  H16  1  0.664305  0.377268  0.595216  1
  H  H17  1  -0.111838  0.770941  0.573034  1
  H  H18  1  0.664305  0.877268  0.595216  1
  H  H19  1  0.440077  0.485952  0.618786  1
  H  H20  1  0.052897  0.430088  0.606668  1
  H  H21  1  0.440077  0.985952  0.618786  1
  H  H22  1  0.827470  0.539749  0.629917  1
  H  H23  1  0.052897  0.930088  0.606668  1
  H  H24  1  0.827470  0.039749  0.629917  1
  H  H25  1  0.603708  0.647238  0.652559  1
  H  H26  1  0.215409  0.593091  0.641365  1
  H  H27  1  0.603708  0.147238  0.652559  1
  H  H28  1  -0.008726  0.701024  0.663956  1
  H  H29  1  0.215409  0.093091  0.641365  1
  H  H30  1  -0.008726  0.201024  0.663956  1
  H  H31  1  0.767202  0.809041  0.687162  1
  H  H32  1  0.379036  0.755303  0.675694  1
  H  H33  1  0.767202  0.309041  0.687162  1
  H  H34  1  0.154882  0.862927  0.698612  1
  H  H35  1  0.379036  0.255303  0.675694  1
  H  H36  1  0.154882  0.362927  0.698612  1
  H  H37  1  -0.068938  0.970577  0.721610  1
  H  H38  1  0.543215  0.916703  0.710087  1
  H  H39  1  -0.068938  0.470577  0.721610  1
  H  H40  1  0.318909  0.024451  0.733134  1
  H  H41  1  0.543215  0.416703  0.710087  1
  H  H42  1  0.318909  0.524451  0.733134  1
  H  H43  1  0.094922  0.132113  0.756058  1
  H  H44  1  0.707242  0.078227  0.744608  1
  H  H45  1  0.094922  0.632113  0.756058  1
  H  H46  1  0.483088  0.185851  0.767527  1
  H  H47  1  0.707242  0.578227  0.744608  1
  H  H48  1  0.483088  0.685851  0.767527  1
  H  H49  1  0.258416  0.293916  0.790661  1
  H  H50  1  -0.129149  0.240130  0.779264  1
  H  H51  1  0.258416  0.793916  0.790661  1
  H  H52  1  0.646716  0.348063  0.801856  1
  H  H53  1  -0.129149  0.740130  0.779264  1
  H  H54  1  0.646716  0.848063  0.801856  1
  H  H55  1  0.422047  0.455202  0.824435  1
  H  H56  1  0.034655  0.401405  0.813304  1
  H  H57  1  0.422047  0.955202  0.824435  1
  H  H58  1  0.809228  0.511066  0.836552  1
  H  H59  1  0.034655  0.901405  0.813304  1
  H  H60  1  0.809228  0.011066  0.836552  1
  H  H61  1  0.585637  0.618246  0.859063  1
  H  H62  1  0.197819  0.563887  0.848004  1
  H  H63  1  0.585637  0.118246  0.859063  1
  H  H64  1  -0.026038  0.670213  0.870186  1
  H  H65  1  0.197819  0.063887  0.848004  1
  H  H66  1  -0.026038  0.170213  0.870186  1
  H  H67  1  0.750498  0.781908  0.895020  1
  H  H68  1  0.363794  0.720967  0.881658  1
  H  H69  1  0.750498  0.281908  0.895020  1
  H  H70  1  0.139121  0.834645  0.906111  1
  H  H71  1  0.363794  0.220967  0.881658  1
  H  H72  1  0.139121  0.334645  0.906111  1
  H  H73  1  -0.079168  0.928461  0.929564  1
  H  H74  1  0.531374  0.881261  0.918614  1
  H  H75  1  -0.079168  0.428461  0.929564  1
  H  H76  1  0.307915  0.982316  0.940555  1
  H  H77  1  0.531374  0.381261  0.918614  1
  H  H78  1  0.307915  0.482316  0.940555  1
