# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38485339
_cell_length_b   3.96707231
_cell_length_c   45.33142185
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.90331778
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H54
_cell_volume   1091.40996545
_cell_formula_units_Z   27
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  0.036831  0.603751  0.298752  1
  H  H2  1  0.415343  0.338947  0.289392  1
  H  H3  1  0.808009  0.153639  0.282727  1
  H  H4  1  0.947043  0.190147  0.327468  1
  H  H5  1  0.292751  0.905138  0.313689  1
  H  H6  1  0.662400  0.705901  0.306053  1
  H  H7  1  0.871658  0.727742  0.349804  1
  H  H8  1  0.235580  0.430697  0.341048  1
  H  H9  1  0.595441  0.221786  0.332612  1
  H  H10  1  0.797054  0.263549  0.375417  1
  H  H11  1  0.160587  0.961484  0.366414  1
  H  H12  1  0.516019  0.751284  0.356000  1
  H  H13  1  0.725197  0.792509  0.399619  1
  H  H14  1  0.084710  0.497356  0.390708  1
  H  H15  1  0.446264  0.272567  0.381992  1
  H  H16  1  0.653756  0.319416  0.424929  1
  H  H17  1  0.014304  0.029874  0.415774  1
  H  H18  1  0.376222  0.795768  0.406791  1
  H  H19  1  0.580550  0.848621  0.449686  1
  H  H20  1  0.940091  0.566172  0.440509  1
  H  H21  1  0.301246  0.323386  0.431552  1
  H  H22  1  0.507818  0.375758  0.474614  1
  H  H23  1  0.868665  0.100312  0.465568  1
  H  H24  1  0.229525  0.849041  0.456506  1
  H  H25  1  0.434601  0.903492  0.499470  1
  H  H26  1  0.795264  0.635787  0.490406  1
  H  H27  1  0.156041  0.376387  0.481330  1
  H  H28  1  0.362052  0.430011  0.524428  1
  H  H29  1  0.722830  0.170611  0.515351  1
  H  H30  1  0.083492  0.902905  0.506287  1
  H  H31  1  0.288568  0.957357  0.549251  1
  H  H32  1  0.649428  0.706086  0.540190  1
  H  H33  1  0.010275  0.430640  0.531143  1
  H  H34  1  0.216847  0.483012  0.574205  1
  H  H35  1  0.578002  0.240226  0.565249  1
  H  H36  1  0.937543  0.957777  0.556071  1
  H  H37  1  0.141871  0.010630  0.598967  1
  H  H38  1  0.503789  0.776524  0.589984  1
  H  H39  1  0.864337  0.486982  0.580828  1
  H  H40  1  0.071829  0.533830  0.623765  1
  H  H41  1  0.433383  0.309042  0.615049  1
  H  H42  1  0.792896  0.013889  0.606138  1
  H  H43  1  0.002074  0.055114  0.649757  1
  H  H44  1  0.357507  0.844914  0.639343  1
  H  H45  1  0.721040  0.542849  0.630341  1
  H  H46  1  0.922653  0.584612  0.673145  1
  H  H47  1  0.282514  0.375701  0.664710  1
  H  H48  1  0.646435  0.078656  0.655953  1
  H  H49  1  0.855693  0.100497  0.699704  1
  H  H50  1  0.225342  0.901260  0.692068  1
  H  H51  1  0.571051  0.616251  0.678289  1
  H  H52  1  0.710084  0.652758  0.723031  1
  H  H53  1  0.102750  0.467451  0.716366  1
  H  H54  1  0.481262  0.202647  0.707005  1
