# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.79915049
_cell_length_b   6.16152990
_cell_length_c   35.59301526
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   55.18663518
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H108
_cell_volume   2124.49510555
_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  0.337642  0.782161  0.460018  1
  H  H2  1  0.670975  0.782161  0.460018  1
  H  H3  1  0.464701  0.927074  0.433990  1
  H  H4  1  0.004309  0.782161  0.460018  1
  H  H5  1  0.798034  0.927074  0.433990  1
  H  H6  1  0.390591  0.370065  0.445081  1
  H  H7  1  0.131368  0.927074  0.433990  1
  H  H8  1  0.723924  0.370065  0.445081  1
  H  H9  1  0.057258  0.370065  0.445081  1
  H  H10  1  0.140397  0.054878  0.497244  1
  H  H11  1  0.473731  0.054878  0.497244  1
  H  H12  1  0.266000  0.212864  0.471431  1
  H  H13  1  0.807064  0.054878  0.497244  1
  H  H14  1  0.599333  0.212864  0.471431  1
  H  H15  1  0.207269  0.628910  0.485825  1
  H  H16  1  -0.067334  0.212864  0.471431  1
  H  H17  1  0.540602  0.628910  0.485825  1
  H  H18  1  0.873936  0.628910  0.485825  1
  H  H19  1  -0.049804  0.320423  0.535152  1
  H  H20  1  0.283529  0.320423  0.535152  1
  H  H21  1  0.078245  0.475095  0.510337  1
  H  H22  1  0.616863  0.320423  0.535152  1
  H  H23  1  0.411579  0.475095  0.510337  1
  H  H24  1  0.013173  0.900249  0.522574  1
  H  H25  1  0.744912  0.475095  0.510337  1
  H  H26  1  0.346506  0.900249  0.522574  1
  H  H27  1  0.679839  0.900249  0.522574  1
  H  H28  1  0.758473  0.589487  0.572834  1
  H  H29  1  0.091807  0.589487  0.572834  1
  H  H30  1  -0.114039  0.744640  0.547798  1
  H  H31  1  0.425140  0.589487  0.572834  1
  H  H32  1  0.219295  0.744640  0.547798  1
  H  H33  1  0.822133  0.166627  0.560278  1
  H  H34  1  0.552628  0.744640  0.547798  1
  H  H35  1  0.155466  0.166627  0.560278  1
  H  H36  1  0.488800  0.166627  0.560278  1
  H  H37  1  0.566795  0.857300  0.610641  1
  H  H38  1  -0.099872  0.857300  0.610641  1
  H  H39  1  0.694405  0.012090  0.585480  1
  H  H40  1  0.233462  0.857300  0.610641  1
  H  H41  1  0.027738  0.012090  0.585480  1
  H  H42  1  0.630693  0.434671  0.598007  1
  H  H43  1  0.361071  0.012090  0.585480  1
  H  H44  1  -0.035974  0.434671  0.598007  1
  H  H45  1  0.297359  0.434671  0.598007  1
  H  H46  1  0.375180  0.125269  0.648385  1
  H  H47  1  0.708513  0.125269  0.648385  1
  H  H48  1  0.502897  0.280027  0.623198  1
  H  H49  1  0.041846  0.125269  0.648385  1
  H  H50  1  0.836230  0.280027  0.623198  1
  H  H51  1  0.439100  0.702518  0.635795  1
  H  H52  1  0.169564  0.280027  0.623198  1
  H  H53  1  0.772433  0.702518  0.635795  1
  H  H54  1  0.105767  0.702518  0.635795  1
  H  H55  1  0.183656  0.393033  0.686159  1
  H  H56  1  0.516990  0.393033  0.686159  1
  H  H57  1  0.311374  0.547791  0.660972  1
  H  H58  1  0.850323  0.393033  0.686159  1
  H  H59  1  0.644707  0.547791  0.660972  1
  H  H60  1  0.247453  0.970542  0.673562  1
  H  H61  1  -0.021959  0.547791  0.660972  1
  H  H62  1  0.580787  0.970542  0.673562  1
  H  H63  1  -0.085880  0.970542  0.673562  1
  H  H64  1  -0.007851  0.660970  0.723877  1
  H  H65  1  0.325482  0.660970  0.723877  1
  H  H66  1  0.119759  0.815760  0.698716  1
  H  H67  1  0.658816  0.660970  0.723877  1
  H  H68  1  0.453092  0.815760  0.698716  1
  H  H69  1  0.055861  0.238390  0.711350  1
  H  H70  1  0.786425  0.815760  0.698716  1
  H  H71  1  0.389194  0.238390  0.711350  1
  H  H72  1  0.722527  0.238390  0.711350  1
  H  H73  1  0.800592  0.928420  0.761559  1
  H  H74  1  0.133925  0.928420  0.761559  1
  H  H75  1  -0.071920  0.083573  0.736523  1
  H  H76  1  0.467259  0.928420  0.761559  1
  H  H77  1  0.261414  0.083573  0.736523  1
  H  H78  1  0.864420  0.506433  0.749079  1
  H  H79  1  0.594747  0.083573  0.736523  1
  H  H80  1  0.197754  0.506433  0.749079  1
  H  H81  1  0.531087  0.506433  0.749079  1
  H  H82  1  0.608308  0.197965  0.799020  1
  H  H83  1  -0.058359  0.197965  0.799020  1
  H  H84  1  0.736357  0.352637  0.774205  1
  H  H85  1  0.274975  0.197965  0.799020  1
  H  H86  1  0.069691  0.352637  0.774205  1
  H  H87  1  0.673381  0.772811  0.786784  1
  H  H88  1  0.403024  0.352637  0.774205  1
  H  H89  1  0.006714  0.772811  0.786784  1
  H  H90  1  0.340047  0.772811  0.786784  1
  H  H91  1  0.420554  0.460196  0.837926  1
  H  H92  1  0.753887  0.460196  0.837926  1
  H  H93  1  0.546156  0.618183  0.812113  1
  H  H94  1  0.087220  0.460196  0.837926  1
  H  H95  1  0.879489  0.618183  0.812113  1
  H  H96  1  0.479284  0.044150  0.823533  1
  H  H97  1  0.212823  0.618183  0.812113  1
  H  H98  1  0.812618  0.044150  0.823533  1
  H  H99  1  0.145951  0.044150  0.823533  1
  H  H100  1  0.221853  0.745986  0.875367  1
  H  H101  1  0.555186  0.745986  0.875367  1
  H  H102  1  0.348911  0.890899  0.849339  1
  H  H103  1  -0.111481  0.745986  0.875367  1
  H  H104  1  0.682245  0.890899  0.849339  1
  H  H105  1  0.295962  0.302995  0.864276  1
  H  H106  1  0.015578  0.890899  0.849339  1
  H  H107  1  0.629296  0.302995  0.864276  1
  H  H108  1  -0.037371  0.302995  0.864276  1
