# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27457172
_cell_length_b   23.82817334
_cell_length_c   48.33116462
_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   H132
_cell_volume   2619.49543183
_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  0.252481  0.933532  0.265388  1
  H  H2  1  0.252481  0.252103  0.297318  1
  H  H3  1  0.752481  0.593240  0.273577  1
  H  H4  1  0.752481  0.754342  0.290246  1
  H  H5  1  0.752481  0.093544  0.273754  1
  H  H6  1  0.252481  0.433939  0.265381  1
  H  H7  1  0.752481  0.685257  0.258154  1
  H  H8  1  0.752481  1.004093  0.290545  1
  H  H9  1  0.252481  0.342406  0.280792  1
  H  H10  1  0.252481  0.841198  0.280943  1
  H  H11  1  0.252481  0.181816  0.265239  1
  H  H12  1  0.752481  0.504655  0.290402  1
  H  H13  1  0.752481  0.913678  0.307163  1
  H  H14  1  0.752481  0.233153  0.339128  1
  H  H15  1  0.252481  0.575756  0.315910  1
  H  H16  1  0.252481  0.735657  0.331916  1
  H  H17  1  0.252481  0.076309  0.315720  1
  H  H18  1  0.752481  0.414044  0.307153  1
  H  H19  1  0.252481  0.665935  0.299773  1
  H  H20  1  0.252481  0.985271  0.332010  1
  H  H21  1  0.752481  0.324244  0.322931  1
  H  H22  1  0.752481  0.823332  0.323256  1
  H  H23  1  0.752481  0.163357  0.307065  1
  H  H24  1  0.252481  0.485523  0.331893  1
  H  H25  1  0.252481  0.895326  0.348341  1
  H  H26  1  0.252481  0.214498  0.380867  1
  H  H27  1  0.752481  0.556753  0.357225  1
  H  H28  1  0.752481  0.716873  0.373473  1
  H  H29  1  0.752481  0.057527  0.356950  1
  H  H30  1  0.252481  0.395354  0.348290  1
  H  H31  1  0.752481  0.647793  0.340863  1
  H  H32  1  0.752481  0.966660  0.373493  1
  H  H33  1  0.252481  0.305174  0.364312  1
  H  H34  1  0.252481  0.804479  0.364752  1
  H  H35  1  0.252481  0.145377  0.348305  1
  H  H36  1  0.752481  0.466727  0.373388  1
  H  H37  1  0.752481  0.876645  0.389750  1
  H  H38  1  0.752481  0.195702  0.422461  1
  H  H39  1  0.252481  0.538062  0.398705  1
  H  H40  1  0.252481  0.698060  0.414975  1
  H  H41  1  0.252481  0.038899  0.398406  1
  H  H42  1  0.752481  0.376539  0.389693  1
  H  H43  1  0.252481  0.628999  0.382207  1
  H  H44  1  0.252481  0.947977  0.414988  1
  H  H45  1  0.752481  0.286554  0.405891  1
  H  H46  1  0.752481  0.785792  0.406300  1
  H  H47  1  0.752481  0.126659  0.389730  1
  H  H48  1  0.252481  0.447992  0.414897  1
  H  H49  1  0.252481  0.857975  0.431221  1
  H  H50  1  0.252481  0.176965  0.463996  1
  H  H51  1  0.752481  0.519358  0.440194  1
  H  H52  1  0.752481  0.679312  0.456463  1
  H  H53  1  0.752481  1.020205  0.439881  1
  H  H54  1  0.252481  0.357884  0.431205  1
  H  H55  1  0.752481  0.610288  0.423659  1
  H  H56  1  0.752481  0.929277  0.456474  1
  H  H57  1  0.252481  0.267850  0.447427  1
  H  H58  1  0.252481  0.767047  0.447796  1
  H  H59  1  0.252481  0.107945  0.431208  1
  H  H60  1  0.752481  0.429310  0.456414  1
  H  H61  1  0.752481  0.839256  0.472692  1
  H  H62  1  0.752481  0.158244  0.505502  1
  H  H63  1  0.252481  0.500663  0.481698  1
  H  H64  1  0.252481  0.660585  0.497949  1
  H  H65  1  0.252481  1.001493  0.481362  1
  H  H66  1  0.752481  0.339195  0.472716  1
  H  H67  1  0.252481  0.591569  0.465140  1
  H  H68  1  0.252481  0.910557  0.497950  1
  H  H69  1  0.752481  0.249150  0.488943  1
  H  H70  1  0.752481  0.748320  0.489280  1
  H  H71  1  0.752481  0.089229  0.472693  1
  H  H72  1  0.252481  0.410619  0.497926  1
  H  H73  1  0.252481  0.820536  0.514168  1
  H  H74  1  0.252481  0.139525  0.546982  1
  H  H75  1  0.752481  0.481963  0.523215  1
  H  H76  1  0.752481  0.641868  0.539434  1
  H  H77  1  0.752481  0.982766  0.522846  1
  H  H78  1  0.252481  0.320504  0.514228  1
  H  H79  1  0.752481  0.572849  0.506645  1
  H  H80  1  0.752481  0.891838  0.539420  1
  H  H81  1  0.252481  0.230455  0.530447  1
  H  H82  1  0.252481  0.729609  0.530760  1
  H  H83  1  0.252481  0.070502  0.514178  1
  H  H84  1  0.752481  0.391929  0.539437  1
  H  H85  1  0.752481  0.801836  0.555654  1
  H  H86  1  0.752481  0.120814  0.588434  1
  H  H87  1  0.252481  0.463259  0.564750  1
  H  H88  1  0.252481  0.623155  0.580911  1
  H  H89  1  0.252481  0.964022  0.564342  1
  H  H90  1  0.752481  0.301822  0.555744  1
  H  H91  1  0.252481  0.554111  0.548181  1
  H  H92  1  0.252481  0.873168  0.580892  1
  H  H93  1  0.752481  0.211751  0.571937  1
  H  H94  1  0.752481  0.710914  0.572236  1
  H  H95  1  0.752481  0.051753  0.555666  1
  H  H96  1  0.252481  0.373274  0.580948  1
  H  H97  1  0.252481  0.783154  0.597149  1
  H  H98  1  0.252481  0.102021  0.629778  1
  H  H99  1  0.752481  0.444639  0.606329  1
  H  H100  1  0.752481  0.604436  0.622337  1
  H  H101  1  0.752481  0.945335  0.605890  1
  H  H102  1  0.252481  0.283086  0.597254  1
  H  H103  1  0.752481  0.535315  0.589774  1
  H  H104  1  0.752481  0.854487  0.622300  1
  H  H105  1  0.252481  0.193061  0.613416  1
  H  H106  1  0.252481  0.692287  0.613691  1
  H  H107  1  0.252481  0.032940  0.597169  1
  H  H108  1  0.752481  0.354460  0.622352  1
  H  H109  1  0.752481  0.764543  0.638632  1
  H  H110  1  0.752481  0.083878  0.670869  1
  H  H111  1  0.252481  0.425570  0.647710  1
  H  H112  1  0.252481  0.586456  0.663577  1
  H  H113  1  0.252481  0.926481  0.647386  1
  H  H114  1  0.752481  0.264290  0.638748  1
  H  H115  1  0.252481  0.516660  0.631513  1
  H  H116  1  0.252481  0.836135  0.663478  1
  H  H117  1  0.752481  0.174057  0.654732  1
  H  H118  1  0.752481  0.673505  0.654922  1
  H  H119  1  0.752481  1.014157  0.638725  1
  H  H120  1  0.252481  0.335769  0.663488  1
  H  H121  1  0.252481  0.745721  0.680097  1
  H  H122  1  0.252481  0.064557  0.712488  1
  H  H123  1  0.752481  0.407407  0.689850  1
  H  H124  1  0.752481  0.567997  0.705402  1
  H  H125  1  0.752481  0.908615  0.689698  1
  H  H126  1  0.252481  0.245158  0.680239  1
  H  H127  1  0.752481  0.497711  0.673323  1
  H  H128  1  0.752481  0.816281  0.705253  1
  H  H129  1  0.252481  0.156573  0.697064  1
  H  H130  1  0.252481  0.656269  0.696888  1
  H  H131  1  0.252481  0.995471  0.680395  1
  H  H132  1  0.752481  0.315874  0.705261  1
