# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96383706
_cell_length_b   11.71406178
_cell_length_c   46.40034593
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.74662336
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H108
_cell_volume   2123.39236578
_cell_formula_units_Z   54
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  0.085536  0.985670  0.268741  1
  H  H2  1  0.274481  0.312490  0.275774  1
  H  H3  1  0.449691  0.640814  0.283363  1
  H  H4  1  0.799616  0.151304  0.270668  1
  H  H5  1  0.972824  0.477347  0.278683  1
  H  H6  1  0.141773  0.802046  0.286794  1
  H  H7  1  0.584044  0.969236  0.294328  1
  H  H8  1  0.763813  0.301749  0.303086  1
  H  H9  1  0.935047  0.629513  0.311068  1
  H  H10  1  0.311077  0.137872  0.297879  1
  H  H11  1  0.480541  0.466226  0.305931  1
  H  H12  1  0.651360  0.795410  0.313631  1
  H  H13  1  0.087673  0.959456  0.319958  1
  H  H14  1  0.258504  0.290527  0.328389  1
  H  H15  1  0.430182  0.620362  0.336396  1
  H  H16  1  0.817064  0.125112  0.322552  1
  H  H17  1  0.988628  0.455824  0.331208  1
  H  H18  1  0.158359  0.785756  0.339012  1
  H  H19  1  0.590765  0.949609  0.345202  1
  H  H20  1  0.759731  0.279578  0.353710  1
  H  H21  1  0.930588  0.610045  0.361954  1
  H  H22  1  0.324821  0.115160  0.347856  1
  H  H23  1  0.494907  0.445557  0.356339  1
  H  H24  1  0.664231  0.775586  0.364320  1
  H  H25  1  0.095411  0.939372  0.370555  1
  H  H26  1  0.263897  0.269466  0.379045  1
  H  H27  1  0.433704  0.599682  0.387290  1
  H  H28  1  0.831642  0.105021  0.372864  1
  H  H29  1  1.000781  0.435163  0.381430  1
  H  H30  1  0.169936  0.765273  0.389603  1
  H  H31  1  0.600679  0.929299  0.395872  1
  H  H32  1  0.768966  0.259155  0.404348  1
  H  H33  1  0.938330  0.589291  0.412675  1
  H  H34  1  0.337604  0.094957  0.398138  1
  H  H35  1  0.506526  0.425070  0.406596  1
  H  H36  1  0.675231  0.754913  0.414866  1
  H  H37  1  0.106010  0.919049  0.421194  1
  H  H38  1  0.274371  0.248983  0.429653  1
  H  H39  1  0.443317  0.579001  0.438000  1
  H  H40  1  0.843086  0.084763  0.423389  1
  H  H41  1  0.011825  0.414768  0.431839  1
  H  H42  1  0.180417  0.744674  0.440181  1
  H  H43  1  0.611351  0.908785  0.446496  1
  H  H44  1  0.779711  0.238716  0.454947  1
  H  H45  1  0.948506  0.568719  0.463325  1
  H  H46  1  0.348424  0.074530  0.448684  1
  H  H47  1  0.517107  0.404539  0.457104  1
  H  H48  1  0.685591  0.734421  0.465485  1
  H  H49  1  0.116652  0.898544  0.471809  1
  H  H50  1  0.285037  0.228463  0.480240  1
  H  H51  1  0.453739  0.558456  0.488633  1
  H  H52  1  0.853697  0.064271  0.473975  1
  H  H53  1  0.022375  0.394271  0.482386  1
  H  H54  1  0.190810  0.724177  0.490798  1
  H  H55  1  0.621900  0.888297  0.497115  1
  H  H56  1  0.790334  0.218202  0.505527  1
  H  H57  1  0.959013  0.548203  0.513939  1
  H  H58  1  0.358970  0.054017  0.499281  1
  H  H59  1  0.527673  0.384010  0.507674  1
  H  H60  1  0.696058  0.713929  0.516104  1
  H  H61  1  0.127118  0.878052  0.522429  1
  H  H62  1  0.295603  0.207935  0.530809  1
  H  H63  1  0.464285  0.537944  0.539230  1
  H  H64  1  0.864204  0.043755  0.524588  1
  H  H65  1  0.032998  0.373758  0.532966  1
  H  H66  1  0.201359  0.703689  0.541418  1
  H  H67  1  0.632293  0.867799  0.547732  1
  H  H68  1  0.800885  0.197706  0.556075  1
  H  H69  1  0.969623  0.527710  0.564525  1
  H  H70  1  0.369393  0.033472  0.549914  1
  H  H71  1  0.538338  0.363491  0.558261  1
  H  H72  1  0.706699  0.693424  0.566719  1
  H  H73  1  0.137478  0.857561  0.573048  1
  H  H74  1  0.306183  0.187404  0.581318  1
  H  H75  1  0.475106  0.517517  0.589775  1
  H  H76  1  0.874379  0.023182  0.575238  1
  H  H77  1  0.043743  0.353318  0.583565  1
  H  H78  1  0.212031  0.683175  0.592041  1
  H  H79  1  0.642773  0.847200  0.598311  1
  H  H80  1  0.811929  0.177311  0.606483  1
  H  H81  1  0.981068  0.507453  0.615049  1
  H  H82  1  0.379006  0.012792  0.600623  1
  H  H83  1  0.548813  0.343007  0.608869  1
  H  H84  1  0.717298  0.673102  0.617358  1
  H  H85  1  0.148479  0.836888  0.623594  1
  H  H86  1  0.317803  0.166917  0.631574  1
  H  H87  1  0.487889  0.497314  0.640057  1
  H  H88  1  0.882121  1.002429  0.625959  1
  H  H89  1  0.052978  0.332896  0.634204  1
  H  H90  1  0.221945  0.662864  0.642711  1
  H  H91  1  0.654350  0.826718  0.648901  1
  H  H92  1  0.824081  0.156649  0.656706  1
  H  H93  1  0.995645  0.487362  0.665361  1
  H  H94  1  0.382527  0.992112  0.651518  1
  H  H95  1  0.554206  0.321947  0.659525  1
  H  H96  1  0.725037  0.653018  0.667956  1
  H  H97  1  0.161350  0.817064  0.674283  1
  H  H98  1  0.332168  0.146247  0.681982  1
  H  H99  1  0.501632  0.474602  0.690035  1
  H  H100  1  0.877663  0.982960  0.676846  1
  H  H101  1  0.048897  0.310724  0.684827  1
  H  H102  1  0.228666  0.643238  0.693585  1
  H  H103  1  0.670937  0.810427  0.701119  1
  H  H104  1  0.839885  0.135126  0.709231  1
  H  H105  1  0.013093  0.461169  0.717245  1
  H  H106  1  0.363019  0.971660  0.704550  1
  H  H107  1  0.538229  0.299983  0.712139  1
  H  H108  1  0.727174  0.626803  0.719173  1
