# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91608587
_cell_length_b   9.09302849
_cell_length_c   47.30696038
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.11532774
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H112
_cell_volume   2760.6541225
_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  0.811028  0.498232  0.284260  1
  H  H2  1  0.607135  0.914285  0.317593  1
  H  H3  1  0.179818  0.265973  0.305711  1
  H  H4  1  0.383711  0.849920  0.272378  1
  H  H5  1  0.946211  0.639032  0.327621  1
  H  H6  1  0.150105  0.222979  0.294287  1
  H  H7  1  0.722787  0.574667  0.282405  1
  H  H8  1  0.518894  0.990720  0.315738  1
  H  H9  1  0.311028  0.498232  0.284260  1
  H  H10  1  0.107135  0.914285  0.317593  1
  H  H11  1  0.679818  0.265973  0.305711  1
  H  H12  1  0.883711  0.849920  0.272378  1
  H  H13  1  0.446211  0.639032  0.327621  1
  H  H14  1  0.650105  0.222979  0.294287  1
  H  H15  1  0.222787  0.574667  0.282405  1
  H  H16  1  0.018894  0.990720  0.315738  1
  H  H17  1  0.403242  0.330338  0.350927  1
  H  H18  1  0.199349  0.746391  0.384260  1
  H  H19  1  0.772031  0.098079  0.372378  1
  H  H20  1  0.975925  0.682026  0.339044  1
  H  H21  1  0.538425  0.471138  0.394287  1
  H  H22  1  0.742318  0.055085  0.360954  1
  H  H23  1  0.315001  0.406773  0.349072  1
  H  H24  1  0.111108  0.822826  0.382405  1
  H  H25  1  0.903242  0.330338  0.350927  1
  H  H26  1  0.699349  0.746391  0.384260  1
  H  H27  1  0.272031  0.098079  0.372378  1
  H  H28  1  0.475925  0.682026  0.339044  1
  H  H29  1  0.038425  0.471138  0.394287  1
  H  H30  1  0.242318  0.055085  0.360954  1
  H  H31  1  0.815001  0.406773  0.349072  1
  H  H32  1  0.611108  0.822826  0.382405  1
  H  H33  1  0.995456  0.162444  0.417593  1
  H  H34  1  0.791563  0.578497  0.450927  1
  H  H35  1  0.364245  0.930185  0.439044  1
  H  H36  1  0.568138  0.514132  0.405711  1
  H  H37  1  0.130639  0.303244  0.460954  1
  H  H38  1  0.334532  0.887191  0.427621  1
  H  H39  1  0.907215  0.238879  0.415738  1
  H  H40  1  0.703321  0.654931  0.449072  1
  H  H41  1  0.495456  0.162444  0.417593  1
  H  H42  1  0.291563  0.578497  0.450927  1
  H  H43  1  0.864245  0.930185  0.439044  1
  H  H44  1  0.068138  0.514132  0.405711  1
  H  H45  1  0.630639  0.303244  0.460954  1
  H  H46  1  0.834532  0.887191  0.427621  1
  H  H47  1  0.407215  0.238879  0.415738  1
  H  H48  1  0.203321  0.654931  0.449072  1
  H  H49  1  0.587669  0.994550  0.484260  1
  H  H50  1  0.383776  0.410603  0.517593  1
  H  H51  1  0.956459  0.762291  0.505711  1
  H  H52  1  0.160352  0.346238  0.472378  1
  H  H53  1  0.722853  0.135349  0.527621  1
  H  H54  1  0.926746  0.719296  0.494287  1
  H  H55  1  0.499428  0.070984  0.482405  1
  H  H56  1  0.295535  0.487037  0.515738  1
  H  H57  1  0.087669  0.994550  0.484260  1
  H  H58  1  0.883776  0.410603  0.517593  1
  H  H59  1  0.456459  0.762291  0.505711  1
  H  H60  1  0.660352  0.346238  0.472378  1
  H  H61  1  0.222853  0.135349  0.527621  1
  H  H62  1  0.426746  0.719296  0.494287  1
  H  H63  1  0.999428  0.070984  0.482405  1
  H  H64  1  0.795535  0.487037  0.515738  1
  H  H65  1  0.179883  0.826656  0.550927  1
  H  H66  1  0.975990  0.242709  0.584260  1
  H  H67  1  0.548673  0.594397  0.572378  1
  H  H68  1  0.752566  0.178344  0.539044  1
  H  H69  1  0.315066  0.967455  0.594287  1
  H  H70  1  0.518959  0.551402  0.560954  1
  H  H71  1  0.091642  0.903090  0.549072  1
  H  H72  1  0.887749  0.319143  0.582405  1
  H  H73  1  0.679883  0.826656  0.550927  1
  H  H74  1  0.475990  0.242709  0.584260  1
  H  H75  1  0.048673  0.594397  0.572378  1
  H  H76  1  0.252566  0.178344  0.539044  1
  H  H77  1  0.815066  0.967455  0.594287  1
  H  H78  1  0.018959  0.551402  0.560954  1
  H  H79  1  0.591642  0.903090  0.549072  1
  H  H80  1  0.387749  0.319143  0.582405  1
  H  H81  1  0.772097  0.658762  0.617593  1
  H  H82  1  0.568204  0.074815  0.650927  1
  H  H83  1  0.140886  0.426502  0.639044  1
  H  H84  1  0.344780  0.010450  0.605711  1
  H  H85  1  0.907280  0.799561  0.660954  1
  H  H86  1  0.111173  0.383508  0.627621  1
  H  H87  1  0.683856  0.735196  0.615738  1
  H  H88  1  0.479963  0.151249  0.649072  1
  H  H89  1  0.272097  0.658762  0.617593  1
  H  H90  1  0.068204  0.074815  0.650927  1
  H  H91  1  0.640886  0.426502  0.639044  1
  H  H92  1  0.844780  0.010450  0.605711  1
  H  H93  1  0.407280  0.799561  0.660954  1
  H  H94  1  0.611173  0.383508  0.627621  1
  H  H95  1  0.183856  0.735196  0.615738  1
  H  H96  1  0.979963  0.151249  0.649072  1
  H  H97  1  0.364311  0.490867  0.684260  1
  H  H98  1  0.160418  0.906920  0.717593  1
  H  H99  1  0.733100  0.258608  0.705711  1
  H  H100  1  0.936993  0.842555  0.672378  1
  H  H101  1  0.499494  0.631667  0.727621  1
  H  H102  1  0.703387  0.215614  0.694287  1
  H  H103  1  0.276070  0.567302  0.682405  1
  H  H104  1  0.072176  0.983355  0.715738  1
  H  H105  1  0.864311  0.490867  0.684260  1
  H  H106  1  0.660418  0.906920  0.717593  1
  H  H107  1  0.233100  0.258608  0.705711  1
  H  H108  1  0.436993  0.842555  0.672378  1
  H  H109  1  0.999494  0.631667  0.727621  1
  H  H110  1  0.203387  0.215614  0.694287  1
  H  H111  1  0.776070  0.567302  0.682405  1
  H  H112  1  0.572176  0.983355  0.715738  1
