# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.30378590
_cell_length_b   6.78505034
_cell_length_c   45.16296265
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H120
_cell_volume   2544.55381841
_cell_formula_units_Z   60
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  0.056853  0.183113  0.320504  1
  H  H2  1  0.056853  0.849780  0.320504  1
  H  H3  1  0.056853  0.516447  0.320504  1
  H  H4  1  0.806853  0.349780  0.320504  1
  H  H5  1  0.806853  1.016447  0.320504  1
  H  H6  1  0.806853  0.683113  0.320504  1
  H  H7  1  0.556853  0.183113  0.320504  1
  H  H8  1  0.556853  0.849780  0.320504  1
  H  H9  1  0.556853  0.516447  0.320504  1
  H  H10  1  0.306853  1.016447  0.320504  1
  H  H11  1  0.306853  0.683113  0.320504  1
  H  H12  1  0.306853  0.349780  0.320504  1
  H  H13  1  0.156207  1.016447  0.363360  1
  H  H14  1  0.156207  0.683113  0.363360  1
  H  H15  1  0.156207  0.349780  0.363360  1
  H  H16  1  0.906207  0.183113  0.363360  1
  H  H17  1  0.906207  0.849780  0.363360  1
  H  H18  1  0.906207  0.516447  0.363360  1
  H  H19  1  0.656207  1.016447  0.363360  1
  H  H20  1  0.656207  0.683113  0.363360  1
  H  H21  1  0.656207  0.349780  0.363360  1
  H  H22  1  0.406207  0.849780  0.363360  1
  H  H23  1  0.406207  0.516447  0.363360  1
  H  H24  1  0.406207  0.183113  0.363360  1
  H  H25  1  0.057948  0.849780  0.405878  1
  H  H26  1  0.057948  0.516447  0.405878  1
  H  H27  1  0.057948  0.183113  0.405878  1
  H  H28  1  0.807948  1.016447  0.405878  1
  H  H29  1  0.807948  0.683113  0.405878  1
  H  H30  1  0.807948  0.349780  0.405878  1
  H  H31  1  0.557948  0.849780  0.405878  1
  H  H32  1  0.557948  0.516447  0.405878  1
  H  H33  1  0.557948  0.183113  0.405878  1
  H  H34  1  0.307948  0.683113  0.405878  1
  H  H35  1  0.307948  0.349780  0.405878  1
  H  H36  1  0.307948  1.016447  0.405878  1
  H  H37  1  0.156340  0.683113  0.448520  1
  H  H38  1  0.156340  0.349780  0.448520  1
  H  H39  1  0.156340  1.016447  0.448520  1
  H  H40  1  0.906340  0.849780  0.448520  1
  H  H41  1  0.906340  0.516447  0.448520  1
  H  H42  1  0.906340  0.183113  0.448520  1
  H  H43  1  0.656340  0.683113  0.448520  1
  H  H44  1  0.656340  0.349780  0.448520  1
  H  H45  1  0.656340  1.016447  0.448520  1
  H  H46  1  0.406340  0.516447  0.448520  1
  H  H47  1  0.406340  0.183113  0.448520  1
  H  H48  1  0.406340  0.849780  0.448520  1
  H  H49  1  0.057910  0.516447  0.491178  1
  H  H50  1  0.057910  0.183113  0.491178  1
  H  H51  1  0.057910  0.849780  0.491178  1
  H  H52  1  0.807910  0.683113  0.491178  1
  H  H53  1  0.807910  0.349780  0.491178  1
  H  H54  1  0.807910  1.016447  0.491178  1
  H  H55  1  0.557910  0.516447  0.491178  1
  H  H56  1  0.557910  0.183113  0.491178  1
  H  H57  1  0.557910  0.849780  0.491178  1
  H  H58  1  0.307910  0.349780  0.491178  1
  H  H59  1  0.307910  1.016447  0.491178  1
  H  H60  1  0.307910  0.683113  0.491178  1
  H  H61  1  0.157938  0.349780  0.533565  1
  H  H62  1  0.157938  1.016447  0.533565  1
  H  H63  1  0.157938  0.683113  0.533565  1
  H  H64  1  0.907938  0.516447  0.533565  1
  H  H65  1  0.907938  0.183113  0.533565  1
  H  H66  1  0.907938  0.849780  0.533565  1
  H  H67  1  0.657938  0.349780  0.533565  1
  H  H68  1  0.657938  1.016447  0.533565  1
  H  H69  1  0.657938  0.683113  0.533565  1
  H  H70  1  0.407938  0.183113  0.533565  1
  H  H71  1  0.407938  0.849780  0.533565  1
  H  H72  1  0.407938  0.516447  0.533565  1
  H  H73  1  0.009401  0.349780  0.575696  1
  H  H74  1  0.009401  1.016447  0.575696  1
  H  H75  1  0.009401  0.683113  0.575696  1
  H  H76  1  0.759401  0.516447  0.575696  1
  H  H77  1  0.759401  0.183113  0.575696  1
  H  H78  1  0.759401  0.849780  0.575696  1
  H  H79  1  0.509401  0.349780  0.575696  1
  H  H80  1  0.509401  1.016447  0.575696  1
  H  H81  1  0.509401  0.683113  0.575696  1
  H  H82  1  0.259401  0.183113  0.575696  1
  H  H83  1  0.259401  0.849780  0.575696  1
  H  H84  1  0.259401  0.516447  0.575696  1
  H  H85  1  0.109398  0.183113  0.618073  1
  H  H86  1  0.109398  0.849780  0.618073  1
  H  H87  1  0.109398  0.516447  0.618073  1
  H  H88  1  0.859398  0.349780  0.618073  1
  H  H89  1  0.859398  1.016447  0.618073  1
  H  H90  1  0.859398  0.683113  0.618073  1
  H  H91  1  0.609398  0.183113  0.618073  1
  H  H92  1  0.609398  0.849780  0.618073  1
  H  H93  1  0.609398  0.516447  0.618073  1
  H  H94  1  0.359398  1.016447  0.618073  1
  H  H95  1  0.359398  0.683113  0.618073  1
  H  H96  1  0.359398  0.349780  0.618073  1
  H  H97  1  0.011120  1.016447  0.660598  1
  H  H98  1  0.011120  0.683113  0.660598  1
  H  H99  1  0.011120  0.349780  0.660598  1
  H  H100  1  0.761120  0.183113  0.660598  1
  H  H101  1  0.761120  0.849780  0.660598  1
  H  H102  1  0.761120  0.516447  0.660598  1
  H  H103  1  0.511120  1.016447  0.660598  1
  H  H104  1  0.511120  0.683113  0.660598  1
  H  H105  1  0.511120  0.349780  0.660598  1
  H  H106  1  0.261120  0.849780  0.660598  1
  H  H107  1  0.261120  0.516447  0.660598  1
  H  H108  1  0.261120  0.183113  0.660598  1
  H  H109  1  0.110479  0.849780  0.703457  1
  H  H110  1  0.110479  0.516447  0.703457  1
  H  H111  1  0.110479  0.183113  0.703457  1
  H  H112  1  0.860479  1.016447  0.703457  1
  H  H113  1  0.860479  0.683113  0.703457  1
  H  H114  1  0.860479  0.349780  0.703457  1
  H  H115  1  0.610479  0.849780  0.703457  1
  H  H116  1  0.610479  0.516447  0.703457  1
  H  H117  1  0.610479  0.183113  0.703457  1
  H  H118  1  0.360479  0.683113  0.703457  1
  H  H119  1  0.360479  0.349780  0.703457  1
  H  H120  1  0.360479  1.016447  0.703457  1
