# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.68046292
_cell_length_b   7.99477047
_cell_length_c   47.12914392
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   127.25940964
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H112
_cell_volume   2903.03045254
_cell_formula_units_Z   56
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  0.611604  0.723208  0.272635  1
  H  H2  1  0.111604  0.723208  0.272635  1
  H  H3  1  0.216947  0.433893  0.305969  1
  H  H4  1  0.716947  0.433893  0.305969  1
  H  H5  1  0.784564  0.069128  0.327365  1
  H  H6  1  0.284564  0.069128  0.327365  1
  H  H7  1  0.179221  0.358443  0.294031  1
  H  H8  1  0.679221  0.358443  0.294031  1
  H  H9  1  0.861604  0.223208  0.272635  1
  H  H10  1  0.361604  0.223208  0.272635  1
  H  H11  1  0.466947  0.933893  0.305969  1
  H  H12  1  0.966947  0.933893  0.305969  1
  H  H13  1  0.034564  0.569128  0.327365  1
  H  H14  1  0.534564  0.569128  0.327365  1
  H  H15  1  0.429221  0.858443  0.294031  1
  H  H16  1  0.929221  0.858443  0.294031  1
  H  H17  1  0.822289  0.144578  0.339302  1
  H  H18  1  0.322289  0.144578  0.339302  1
  H  H19  1  0.427632  0.855264  0.372635  1
  H  H20  1  0.927632  0.855264  0.372635  1
  H  H21  1  0.995249  0.490499  0.394031  1
  H  H22  1  0.495249  0.490499  0.394031  1
  H  H23  1  0.389907  0.779814  0.360698  1
  H  H24  1  0.889907  0.779814  0.360698  1
  H  H25  1  0.072289  0.644578  0.339302  1
  H  H26  1  0.572289  0.644578  0.339302  1
  H  H27  1  0.677632  0.355264  0.372635  1
  H  H28  1  0.177632  0.355264  0.372635  1
  H  H29  1  0.245249  0.990499  0.394031  1
  H  H30  1  0.745249  0.990499  0.394031  1
  H  H31  1  0.639907  0.279814  0.360698  1
  H  H32  1  0.139907  0.279814  0.360698  1
  H  H33  1  0.032975  0.565949  0.405969  1
  H  H34  1  0.532975  0.565949  0.405969  1
  H  H35  1  0.638317  0.276634  0.439302  1
  H  H36  1  0.138317  0.276634  0.439302  1
  H  H37  1  0.205935  0.911870  0.460698  1
  H  H38  1  0.705935  0.911870  0.460698  1
  H  H39  1  0.600592  0.201184  0.427365  1
  H  H40  1  0.100592  0.201184  0.427365  1
  H  H41  1  0.282975  0.065949  0.405969  1
  H  H42  1  0.782975  0.065949  0.405969  1
  H  H43  1  0.888317  0.776634  0.439302  1
  H  H44  1  0.388317  0.776634  0.439302  1
  H  H45  1  0.455935  0.411870  0.460698  1
  H  H46  1  0.955935  0.411870  0.460698  1
  H  H47  1  0.850592  0.701184  0.427365  1
  H  H48  1  0.350592  0.701184  0.427365  1
  H  H49  1  0.243660  0.987320  0.472635  1
  H  H50  1  0.743660  0.987320  0.472635  1
  H  H51  1  0.849003  0.698005  0.505969  1
  H  H52  1  0.349003  0.698005  0.505969  1
  H  H53  1  0.416620  0.333240  0.527365  1
  H  H54  1  0.916620  0.333240  0.527365  1
  H  H55  1  0.811277  0.622555  0.494031  1
  H  H56  1  0.311277  0.622555  0.494031  1
  H  H57  1  0.493660  0.487320  0.472635  1
  H  H58  1  0.993660  0.487320  0.472635  1
  H  H59  1  0.099003  0.198005  0.505969  1
  H  H60  1  0.599003  0.198005  0.505969  1
  H  H61  1  0.666620  0.833240  0.527365  1
  H  H62  1  0.166620  0.833240  0.527365  1
  H  H63  1  0.061277  0.122555  0.494031  1
  H  H64  1  0.561277  0.122555  0.494031  1
  H  H65  1  0.454345  0.408690  0.539302  1
  H  H66  1  0.954345  0.408690  0.539302  1
  H  H67  1  0.059688  0.119376  0.572635  1
  H  H68  1  0.559688  0.119376  0.572635  1
  H  H69  1  0.627305  0.754611  0.594031  1
  H  H70  1  0.127305  0.754611  0.594031  1
  H  H71  1  0.021963  0.043926  0.560698  1
  H  H72  1  0.521963  0.043926  0.560698  1
  H  H73  1  0.704345  0.908690  0.539302  1
  H  H74  1  0.204345  0.908690  0.539302  1
  H  H75  1  0.309688  0.619376  0.572635  1
  H  H76  1  0.809688  0.619376  0.572635  1
  H  H77  1  0.877305  0.254611  0.594031  1
  H  H78  1  0.377305  0.254611  0.594031  1
  H  H79  1  0.271963  0.543926  0.560698  1
  H  H80  1  0.771963  0.543926  0.560698  1
  H  H81  1  0.665031  0.830061  0.605969  1
  H  H82  1  0.165031  0.830061  0.605969  1
  H  H83  1  0.270373  0.540746  0.639302  1
  H  H84  1  0.770373  0.540746  0.639302  1
  H  H85  1  0.837991  0.175982  0.660698  1
  H  H86  1  0.337991  0.175982  0.660698  1
  H  H87  1  0.232648  0.465296  0.627365  1
  H  H88  1  0.732648  0.465296  0.627365  1
  H  H89  1  0.915031  0.330061  0.605969  1
  H  H90  1  0.415031  0.330061  0.605969  1
  H  H91  1  0.520373  0.040746  0.639302  1
  H  H92  1  0.020373  0.040746  0.639302  1
  H  H93  1  0.087991  0.675982  0.660698  1
  H  H94  1  0.587991  0.675982  0.660698  1
  H  H95  1  0.482648  0.965296  0.627365  1
  H  H96  1  0.982648  0.965296  0.627365  1
  H  H97  1  0.875716  0.251432  0.672635  1
  H  H98  1  0.375716  0.251432  0.672635  1
  H  H99  1  0.481059  0.962117  0.705969  1
  H  H100  1  0.981059  0.962117  0.705969  1
  H  H101  1  0.048676  0.597352  0.727365  1
  H  H102  1  0.548676  0.597352  0.727365  1
  H  H103  1  0.443333  0.886667  0.694031  1
  H  H104  1  0.943333  0.886667  0.694031  1
  H  H105  1  0.125716  0.751432  0.672635  1
  H  H106  1  0.625716  0.751432  0.672635  1
  H  H107  1  0.731059  0.462117  0.705969  1
  H  H108  1  0.231059  0.462117  0.705969  1
  H  H109  1  0.298676  0.097352  0.727365  1
  H  H110  1  0.798676  0.097352  0.727365  1
  H  H111  1  0.693333  0.386667  0.694031  1
  H  H112  1  0.193333  0.386667  0.694031  1
