# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27976743
_cell_length_b   15.68528129
_cell_length_c   48.52092793
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.94073152
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H88
_cell_volume   1730.94761827
_cell_formula_units_Z   44
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  0.441754  0.382995  0.286704  1
  H  H2  1  0.199362  0.896047  0.265300  1
  H  H3  1  0.819520  0.140064  0.267994  1
  H  H4  1  0.566171  0.630050  0.296191  1
  H  H5  1  0.754025  1.008425  0.287834  1
  H  H6  1  0.509443  0.516676  0.266810  1
  H  H7  1  0.385273  0.271818  0.256638  1
  H  H8  1  0.130914  0.759643  0.284059  1
  H  H9  1  0.932385  0.364697  0.328705  1
  H  H10  1  0.688593  0.875289  0.307544  1
  H  H11  1  0.311454  0.123213  0.310338  1
  H  H12  1  0.057211  0.612188  0.338438  1
  H  H13  1  0.244617  0.989397  0.329702  1
  H  H14  1  1.000823  0.499407  0.309085  1
  H  H15  1  0.876042  0.252232  0.298934  1
  H  H16  1  0.622382  0.742130  0.326706  1
  H  H17  1  0.423487  0.346820  0.370629  1
  H  H18  1  0.179580  0.857049  0.349134  1
  H  H19  1  0.802068  0.104527  0.351974  1
  H  H20  1  0.547967  0.593717  0.380452  1
  H  H21  1  0.735503  0.971053  0.371590  1
  H  H22  1  0.491908  0.481525  0.350500  1
  H  H23  1  0.367335  0.234784  0.340522  1
  H  H24  1  0.113115  0.723721  0.368715  1
  H  H25  1  0.914260  0.328477  0.412493  1
  H  H26  1  0.670462  0.838777  0.391012  1
  H  H27  1  0.292958  0.086290  0.393818  1
  H  H28  1  0.038801  0.575339  0.422414  1
  H  H29  1  0.226384  0.952814  0.413511  1
  H  H30  1  0.982836  0.463381  0.392284  1
  H  H31  1  0.858166  0.216491  0.382289  1
  H  H32  1  0.603936  0.705433  0.410726  1
  H  H33  1  0.405057  0.310162  0.454348  1
  H  H34  1  0.161345  0.820550  0.432931  1
  H  H35  1  0.783835  0.068028  0.435694  1
  H  H36  1  0.529628  0.556990  0.464324  1
  H  H37  1  0.717257  0.934565  0.455426  1
  H  H38  1  0.473647  0.445055  0.434123  1
  H  H39  1  0.349020  0.198204  0.424119  1
  H  H40  1  0.094783  0.687140  0.452679  1
  H  H41  1  0.895871  0.291853  0.496205  1
  H  H42  1  0.652210  0.802292  0.474846  1
  H  H43  1  0.274698  0.049749  0.477589  1
  H  H44  1  0.020465  0.538678  0.506206  1
  H  H45  1  0.208120  0.916300  0.497337  1
  H  H46  1  0.964459  0.426740  0.475979  1
  H  H47  1  0.839866  0.179915  0.465978  1
  H  H48  1  0.585633  0.668843  0.494595  1
  H  H49  1  0.386684  0.273537  0.538060  1
  H  H50  1  0.143074  0.784028  0.516758  1
  H  H51  1  0.765548  0.031452  0.519505  1
  H  H52  1  0.511310  0.520388  0.548065  1
  H  H53  1  0.698986  0.898042  0.539253  1
  H  H54  1  0.455274  0.408431  0.517836  1
  H  H55  1  0.330702  0.161602  0.507860  1
  H  H56  1  0.076496  0.650564  0.536489  1
  H  H57  1  0.877495  0.255211  0.579899  1
  H  H58  1  0.633946  0.765779  0.558672  1
  H  H59  1  0.256394  1.013160  0.561458  1
  H  H60  1  1.002165  0.502101  0.589895  1
  H  H61  1  0.189869  0.879815  0.581172  1
  H  H62  1  0.946071  0.390115  0.559690  1
  H  H63  1  0.821529  0.143253  0.549769  1
  H  H64  1  0.567372  0.632302  0.578366  1
  H  H65  1  0.368422  0.237067  0.621684  1
  H  H66  1  0.124828  0.747539  0.600594  1
  H  H67  1  0.747216  0.994871  0.603469  1
  H  H68  1  0.492995  0.483808  0.631661  1
  H  H69  1  0.680750  0.861544  0.623049  1
  H  H70  1  0.436843  0.371772  0.601554  1
  H  H71  1  0.312363  0.124875  0.591731  1
  H  H72  1  0.058263  0.614065  0.620210  1
  H  H73  1  0.859508  0.219185  0.663099  1
  H  H74  1  0.615714  0.729196  0.642482  1
  H  H75  1  0.237949  0.976463  0.645477  1
  H  H76  1  0.984289  0.466360  0.673250  1
  H  H77  1  0.171738  0.843303  0.664640  1
  H  H78  1  0.927946  0.353895  0.643479  1
  H  H79  1  0.803120  0.106404  0.633745  1
  H  H80  1  0.548876  0.595379  0.661845  1
  H  H81  1  0.350887  0.201916  0.705373  1
  H  H82  1  0.106305  0.710168  0.684349  1
  H  H83  1  0.729417  0.958949  0.688125  1
  H  H84  1  0.475057  0.446774  0.715546  1
  H  H85  1  0.660969  0.822546  0.706883  1
  H  H86  1  0.418577  0.335598  0.685480  1
  H  H87  1  0.294159  0.088542  0.675992  1
  H  H88  1  0.040810  0.578529  0.704189  1
