# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.96568093
_cell_length_b   8.29671915
_cell_length_c   48.49232530
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.09951544
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H96
_cell_volume   3892.04516968
_cell_formula_units_Z   48
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  0.002975  0.485127  0.353365  1
  H  H2  1  0.502975  0.985127  0.353365  1
  H  H3  1  0.578475  0.607624  0.317651  1
  H  H4  1  0.078475  0.107624  0.317651  1
  H  H5  1  0.888017  0.559916  0.289486  1
  H  H6  1  0.388017  0.059916  0.289486  1
  H  H7  1  0.312516  0.437418  0.325200  1
  H  H8  1  0.812516  0.937418  0.325200  1
  H  H9  1  0.828475  0.857624  0.317651  1
  H  H10  1  0.328475  0.357624  0.317651  1
  H  H11  1  0.252975  0.735127  0.353365  1
  H  H12  1  0.752975  0.235127  0.353365  1
  H  H13  1  0.138017  0.809916  0.289486  1
  H  H14  1  0.638017  0.309916  0.289486  1
  H  H15  1  0.562516  0.687418  0.325200  1
  H  H16  1  0.062516  0.187418  0.325200  1
  H  H17  1  0.851973  0.240134  0.424794  1
  H  H18  1  0.351973  0.740134  0.424794  1
  H  H19  1  0.427474  0.362631  0.389080  1
  H  H20  1  0.927474  0.862631  0.389080  1
  H  H21  1  0.737016  0.314922  0.360914  1
  H  H22  1  0.237016  0.814922  0.360914  1
  H  H23  1  0.161515  0.192425  0.396629  1
  H  H24  1  0.661515  0.692425  0.396629  1
  H  H25  1  0.677474  0.612631  0.389080  1
  H  H26  1  0.177474  0.112631  0.389080  1
  H  H27  1  0.101973  0.490134  0.424794  1
  H  H28  1  0.601973  0.990134  0.424794  1
  H  H29  1  0.987016  0.564922  0.360914  1
  H  H30  1  0.487016  0.064922  0.360914  1
  H  H31  1  0.411515  0.442425  0.396629  1
  H  H32  1  0.911515  0.942425  0.396629  1
  H  H33  1  0.700972  0.995141  0.496222  1
  H  H34  1  0.200972  0.495141  0.496222  1
  H  H35  1  0.276472  0.117638  0.460508  1
  H  H36  1  0.776472  0.617638  0.460508  1
  H  H37  1  0.586014  0.069929  0.432343  1
  H  H38  1  0.086014  0.569929  0.432343  1
  H  H39  1  0.010514  0.947432  0.468057  1
  H  H40  1  0.510514  0.447432  0.468057  1
  H  H41  1  0.526472  0.367638  0.460508  1
  H  H42  1  0.026472  0.867638  0.460508  1
  H  H43  1  0.950972  0.245141  0.496222  1
  H  H44  1  0.450972  0.745141  0.496222  1
  H  H45  1  0.836014  0.319929  0.432343  1
  H  H46  1  0.336014  0.819929  0.432343  1
  H  H47  1  0.260514  0.197432  0.468057  1
  H  H48  1  0.760514  0.697432  0.468057  1
  H  H49  1  0.549970  0.750148  0.567651  1
  H  H50  1  0.049970  0.250148  0.567651  1
  H  H51  1  0.125471  0.872644  0.531937  1
  H  H52  1  0.625471  0.372644  0.531937  1
  H  H53  1  0.435013  0.824935  0.503772  1
  H  H54  1  0.935013  0.324935  0.503772  1
  H  H55  1  0.859512  0.702439  0.539486  1
  H  H56  1  0.359512  0.202439  0.539486  1
  H  H57  1  0.375471  0.122644  0.531937  1
  H  H58  1  0.875471  0.622644  0.531937  1
  H  H59  1  0.799970  0.000148  0.567651  1
  H  H60  1  0.299970  0.500148  0.567651  1
  H  H61  1  0.685013  0.074935  0.503772  1
  H  H62  1  0.185013  0.574935  0.503772  1
  H  H63  1  0.109512  0.952439  0.539486  1
  H  H64  1  0.609512  0.452439  0.539486  1
  H  H65  1  0.398969  0.505155  0.639080  1
  H  H66  1  0.898969  0.005155  0.639080  1
  H  H67  1  0.974470  0.627651  0.603365  1
  H  H68  1  0.474470  0.127651  0.603365  1
  H  H69  1  0.284012  0.579942  0.575200  1
  H  H70  1  0.784012  0.079942  0.575200  1
  H  H71  1  0.708511  0.457446  0.610914  1
  H  H72  1  0.208511  0.957446  0.610914  1
  H  H73  1  0.224470  0.877651  0.603365  1
  H  H74  1  0.724470  0.377651  0.603365  1
  H  H75  1  0.648969  0.755155  0.639080  1
  H  H76  1  0.148969  0.255155  0.639080  1
  H  H77  1  0.534012  0.829942  0.575200  1
  H  H78  1  0.034012  0.329942  0.575200  1
  H  H79  1  0.958511  0.707446  0.610914  1
  H  H80  1  0.458511  0.207446  0.610914  1
  H  H81  1  0.247968  0.260161  0.710508  1
  H  H82  1  0.747968  0.760161  0.710508  1
  H  H83  1  0.823468  0.382658  0.674794  1
  H  H84  1  0.323468  0.882658  0.674794  1
  H  H85  1  0.133010  0.334949  0.646629  1
  H  H86  1  0.633010  0.834949  0.646629  1
  H  H87  1  0.557510  0.212452  0.682343  1
  H  H88  1  0.057510  0.712452  0.682343  1
  H  H89  1  0.073468  0.632658  0.674794  1
  H  H90  1  0.573468  0.132658  0.674794  1
  H  H91  1  0.497968  0.510161  0.710508  1
  H  H92  1  0.997968  0.010161  0.710508  1
  H  H93  1  0.383010  0.584949  0.646629  1
  H  H94  1  0.883010  0.084949  0.646629  1
  H  H95  1  0.807510  0.462452  0.682343  1
  H  H96  1  0.307510  0.962452  0.682343  1
