# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.12421363
_cell_length_b   6.54215753
_cell_length_c   46.24753921
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   124.79109561
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H132
_cell_volume   2267.11762065
_cell_formula_units_Z   66
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  0.154008  0.509603  0.289551  1
  H  H2  1  0.820675  0.509603  0.289551  1
  H  H3  1  0.487342  0.509603  0.289551  1
  H  H4  1  0.481141  0.044500  0.299551  1
  H  H5  1  0.147808  0.044500  0.299551  1
  H  H6  1  0.826875  0.974706  0.279551  1
  H  H7  1  0.142851  0.572395  0.307545  1
  H  H8  1  0.809518  0.572395  0.307545  1
  H  H9  1  0.476185  0.572395  0.307545  1
  H  H10  1  0.469984  0.107292  0.317545  1
  H  H11  1  0.136651  0.107292  0.317545  1
  H  H12  1  0.815718  0.037498  0.297545  1
  H  H13  1  0.129650  0.646691  0.328835  1
  H  H14  1  0.796317  0.646691  0.328835  1
  H  H15  1  0.462984  0.646691  0.328835  1
  H  H16  1  0.456783  0.181588  0.338835  1
  H  H17  1  0.123450  0.181588  0.338835  1
  H  H18  1  0.802518  0.111794  0.318835  1
  H  H19  1  0.117546  0.714818  0.348357  1
  H  H20  1  0.784212  0.714818  0.348357  1
  H  H21  1  0.450879  0.714818  0.348357  1
  H  H22  1  0.444678  0.249715  0.358357  1
  H  H23  1  0.111345  0.249715  0.358357  1
  H  H24  1  0.790413  0.179921  0.338357  1
  H  H25  1  0.104989  0.785486  0.368607  1
  H  H26  1  0.771656  0.785486  0.368607  1
  H  H27  1  0.438323  0.785486  0.368607  1
  H  H28  1  0.432122  0.320383  0.378607  1
  H  H29  1  0.098789  0.320383  0.378607  1
  H  H30  1  0.777856  0.250589  0.358607  1
  H  H31  1  0.092650  0.854930  0.388507  1
  H  H32  1  0.759317  0.854930  0.388507  1
  H  H33  1  0.425984  0.854930  0.388507  1
  H  H34  1  0.419783  0.389827  0.398507  1
  H  H35  1  0.086450  0.389827  0.398507  1
  H  H36  1  0.765518  0.320033  0.378507  1
  H  H37  1  0.080213  0.924931  0.408566  1
  H  H38  1  0.746879  0.924931  0.408566  1
  H  H39  1  0.413546  0.924931  0.408566  1
  H  H40  1  0.407345  0.459828  0.418566  1
  H  H41  1  0.074012  0.459828  0.418566  1
  H  H42  1  0.753080  0.390034  0.398566  1
  H  H43  1  0.067821  0.994671  0.428551  1
  H  H44  1  0.734488  0.994671  0.428551  1
  H  H45  1  0.401155  0.994671  0.428551  1
  H  H46  1  0.394954  0.529568  0.438551  1
  H  H47  1  0.061621  0.529568  0.438551  1
  H  H48  1  0.740688  0.459774  0.418551  1
  H  H49  1  0.055408  0.064531  0.448570  1
  H  H50  1  0.722075  0.064531  0.448570  1
  H  H51  1  0.388742  0.064531  0.448570  1
  H  H52  1  0.382541  0.599428  0.458570  1
  H  H53  1  0.049208  0.599428  0.458570  1
  H  H54  1  0.728276  0.529634  0.438570  1
  H  H55  1  0.043006  0.134335  0.468573  1
  H  H56  1  0.709672  0.134335  0.468573  1
  H  H57  1  0.376339  0.134335  0.468573  1
  H  H58  1  0.370139  0.669232  0.478573  1
  H  H59  1  0.036805  0.669232  0.478573  1
  H  H60  1  0.715873  0.599438  0.458573  1
  H  H61  1  0.030598  0.204167  0.488583  1
  H  H62  1  0.697265  0.204167  0.488583  1
  H  H63  1  0.363931  0.204167  0.488583  1
  H  H64  1  0.357731  0.739064  0.498583  1
  H  H65  1  0.024397  0.739064  0.498583  1
  H  H66  1  0.703465  0.669270  0.478583  1
  H  H67  1  0.018193  0.273981  0.508589  1
  H  H68  1  0.684860  0.273981  0.508589  1
  H  H69  1  0.351527  0.273981  0.508589  1
  H  H70  1  0.345326  0.808878  0.518589  1
  H  H71  1  0.011993  0.808878  0.518589  1
  H  H72  1  0.691061  0.739084  0.498589  1
  H  H73  1  0.005786  0.343813  0.528600  1
  H  H74  1  0.672452  0.343813  0.528600  1
  H  H75  1  0.339119  0.343813  0.528600  1
  H  H76  1  0.332918  0.878710  0.538600  1
  H  H77  1  0.999585  0.878710  0.538600  1
  H  H78  1  0.678653  0.808916  0.518600  1
  H  H79  1  0.993383  0.413617  0.548603  1
  H  H80  1  0.660050  0.413617  0.548603  1
  H  H81  1  0.326716  0.413617  0.548603  1
  H  H82  1  0.320516  0.948514  0.558603  1
  H  H83  1  0.987182  0.948514  0.558603  1
  H  H84  1  0.666250  0.878719  0.538603  1
  H  H85  1  0.980970  0.483477  0.568622  1
  H  H86  1  0.647637  0.483477  0.568622  1
  H  H87  1  0.314303  0.483477  0.568622  1
  H  H88  1  0.308103  0.018374  0.578622  1
  H  H89  1  0.974770  0.018374  0.578622  1
  H  H90  1  0.653837  0.948580  0.558622  1
  H  H91  1  0.968579  0.553217  0.588606  1
  H  H92  1  0.635245  0.553217  0.588606  1
  H  H93  1  0.301912  0.553217  0.588606  1
  H  H94  1  0.295711  0.088114  0.598606  1
  H  H95  1  0.962378  0.088114  0.598606  1
  H  H96  1  0.641446  0.018320  0.578606  1
  H  H97  1  0.956141  0.623217  0.608665  1
  H  H98  1  0.622808  0.623217  0.608665  1
  H  H99  1  0.289474  0.623217  0.608665  1
  H  H100  1  0.283274  0.158114  0.618665  1
  H  H101  1  0.949940  0.158114  0.618665  1
  H  H102  1  0.629008  0.088320  0.598665  1
  H  H103  1  0.943802  0.692662  0.628565  1
  H  H104  1  0.610469  0.692662  0.628565  1
  H  H105  1  0.277135  0.692662  0.628565  1
  H  H106  1  0.270935  0.227559  0.638565  1
  H  H107  1  0.937602  0.227559  0.638565  1
  H  H108  1  0.616669  0.157765  0.618565  1
  H  H109  1  0.931246  0.763330  0.648816  1
  H  H110  1  0.597912  0.763330  0.648816  1
  H  H111  1  0.264579  0.763330  0.648816  1
  H  H112  1  0.258379  0.298227  0.658816  1
  H  H113  1  0.925045  0.298227  0.658816  1
  H  H114  1  0.604113  0.228433  0.638816  1
  H  H115  1  0.919141  0.831457  0.668338  1
  H  H116  1  0.585808  0.831457  0.668338  1
  H  H117  1  0.252474  0.831457  0.668338  1
  H  H118  1  0.246274  0.366354  0.678338  1
  H  H119  1  0.912940  0.366354  0.678338  1
  H  H120  1  0.592008  0.296560  0.658338  1
  H  H121  1  0.905940  0.905752  0.689628  1
  H  H122  1  0.572607  0.905752  0.689628  1
  H  H123  1  0.239273  0.905752  0.689628  1
  H  H124  1  0.233073  0.440649  0.699628  1
  H  H125  1  0.899740  0.440649  0.699628  1
  H  H126  1  0.578807  0.370855  0.679628  1
  H  H127  1  0.894783  0.968545  0.707622  1
  H  H128  1  0.561450  0.968545  0.707622  1
  H  H129  1  0.228116  0.968545  0.707622  1
  H  H130  1  0.221916  0.503442  0.717622  1
  H  H131  1  0.888583  0.503442  0.717622  1
  H  H132  1  0.567650  0.433648  0.697622  1
