# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61840962
_cell_length_b   10.22043153
_cell_length_c   47.32083480
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H108
_cell_volume   2177.08748962
_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  0.930426  0.858911  0.290898  1
  H  H2  1  0.080529  0.159340  0.305231  1
  H  H3  1  0.240449  0.480450  0.324253  1
  H  H4  1  0.080529  0.659340  0.305231  1
  H  H5  1  0.240449  0.980450  0.324253  1
  H  H6  1  0.930426  0.358911  0.290898  1
  H  H7  1  0.580529  0.659340  0.305231  1
  H  H8  1  0.740449  0.980450  0.324253  1
  H  H9  1  0.430426  0.358911  0.290898  1
  H  H10  1  0.430426  0.858911  0.290898  1
  H  H11  1  0.580529  0.159340  0.305231  1
  H  H12  1  0.740449  0.480450  0.324253  1
  H  H13  1  0.395917  0.792114  0.338595  1
  H  H14  1  0.555060  0.111124  0.355176  1
  H  H15  1  0.711740  0.424843  0.370830  1
  H  H16  1  0.555060  0.611124  0.355176  1
  H  H17  1  0.711740  0.924843  0.370830  1
  H  H18  1  0.395917  0.292114  0.338595  1
  H  H19  1  0.055060  0.611124  0.355176  1
  H  H20  1  0.211740  0.924843  0.370830  1
  H  H21  1  0.895917  0.292114  0.338595  1
  H  H22  1  0.895917  0.792114  0.338595  1
  H  H23  1  0.055060  0.111124  0.355176  1
  H  H24  1  0.211740  0.424843  0.370830  1
  H  H25  1  0.870033  0.741579  0.386622  1
  H  H26  1  0.027665  0.056997  0.402474  1
  H  H27  1  0.185524  0.372762  0.418347  1
  H  H28  1  0.027665  0.556997  0.402474  1
  H  H29  1  0.185524  0.872762  0.418347  1
  H  H30  1  0.870033  0.241579  0.386622  1
  H  H31  1  0.527665  0.556997  0.402474  1
  H  H32  1  0.685524  0.872762  0.418347  1
  H  H33  1  0.370033  0.241579  0.386622  1
  H  H34  1  0.370033  0.741579  0.386622  1
  H  H35  1  0.527665  0.056997  0.402474  1
  H  H36  1  0.685524  0.372762  0.418347  1
  H  H37  1  0.343303  0.688478  0.434147  1
  H  H38  1  0.501124  0.004242  0.450013  1
  H  H39  1  0.658892  0.319923  0.465855  1
  H  H40  1  0.501124  0.504242  0.450013  1
  H  H41  1  0.658892  0.819923  0.465855  1
  H  H42  1  0.343303  0.188478  0.434147  1
  H  H43  1  0.001124  0.504242  0.450013  1
  H  H44  1  0.158892  0.819923  0.465855  1
  H  H45  1  0.843303  0.188478  0.434147  1
  H  H46  1  0.843303  0.688478  0.434147  1
  H  H47  1  0.001124  0.004242  0.450013  1
  H  H48  1  0.158892  0.319923  0.465855  1
  H  H49  1  0.816700  0.635672  0.481695  1
  H  H50  1  0.974490  0.951389  0.497541  1
  H  H51  1  0.132279  0.267107  0.513388  1
  H  H52  1  0.974490  0.451389  0.497541  1
  H  H53  1  0.132279  0.767107  0.513388  1
  H  H54  1  0.816700  0.135672  0.481695  1
  H  H55  1  0.474490  0.451389  0.497541  1
  H  H56  1  0.632279  0.767107  0.513388  1
  H  H57  1  0.316700  0.135672  0.481695  1
  H  H58  1  0.316700  0.635672  0.481695  1
  H  H59  1  0.474490  0.951389  0.497541  1
  H  H60  1  0.632279  0.267107  0.513388  1
  H  H61  1  0.290087  0.582856  0.529228  1
  H  H62  1  0.447856  0.898536  0.545070  1
  H  H63  1  0.605677  0.214301  0.560935  1
  H  H64  1  0.447856  0.398536  0.545070  1
  H  H65  1  0.605677  0.714301  0.560935  1
  H  H66  1  0.290087  0.082856  0.529228  1
  H  H67  1  0.947856  0.398536  0.545070  1
  H  H68  1  0.105677  0.714301  0.560935  1
  H  H69  1  0.790087  0.082856  0.529228  1
  H  H70  1  0.790087  0.582856  0.529228  1
  H  H71  1  0.947856  0.898536  0.545070  1
  H  H72  1  0.105677  0.214301  0.560935  1
  H  H73  1  0.763456  0.530017  0.576736  1
  H  H74  1  0.921314  0.845781  0.592608  1
  H  H75  1  0.078947  0.161199  0.608461  1
  H  H76  1  0.921314  0.345781  0.592608  1
  H  H77  1  0.078947  0.661199  0.608461  1
  H  H78  1  0.763456  0.030017  0.576736  1
  H  H79  1  0.421314  0.345781  0.592608  1
  H  H80  1  0.578947  0.661199  0.608461  1
  H  H81  1  0.263456  0.030017  0.576736  1
  H  H82  1  0.263456  0.530017  0.576736  1
  H  H83  1  0.421314  0.845781  0.592608  1
  H  H84  1  0.578947  0.161199  0.608461  1
  H  H85  1  0.237240  0.477935  0.624252  1
  H  H86  1  0.393920  0.791655  0.639907  1
  H  H87  1  0.553063  0.110664  0.656487  1
  H  H88  1  0.393920  0.291655  0.639907  1
  H  H89  1  0.553063  0.610664  0.656487  1
  H  H90  1  0.237240  0.977935  0.624252  1
  H  H91  1  0.893920  0.291655  0.639907  1
  H  H92  1  0.053063  0.610664  0.656487  1
  H  H93  1  0.737240  0.977935  0.624252  1
  H  H94  1  0.737240  0.477935  0.624252  1
  H  H95  1  0.893920  0.791655  0.639907  1
  H  H96  1  0.053063  0.110664  0.656487  1
  H  H97  1  0.708530  0.422328  0.670829  1
  H  H98  1  0.868450  0.743439  0.689852  1
  H  H99  1  0.018554  0.043868  0.704184  1
  H  H100  1  0.868450  0.243439  0.689852  1
  H  H101  1  0.018554  0.543868  0.704184  1
  H  H102  1  0.708530  0.922328  0.670829  1
  H  H103  1  0.368450  0.243439  0.689852  1
  H  H104  1  0.518554  0.543868  0.704184  1
  H  H105  1  0.208530  0.922328  0.670829  1
  H  H106  1  0.208530  0.422328  0.670829  1
  H  H107  1  0.368450  0.743439  0.689852  1
  H  H108  1  0.518554  0.043868  0.704184  1
