# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25647626
_cell_length_b   7.25678432
_cell_length_c   48.03481034
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H128
_cell_volume   2478.34459147
_cell_formula_units_Z   64
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  0.584820  0.590288  0.301171  1
  H  H2  1  0.097341  0.092810  0.303575  1
  H  H3  1  0.194516  0.682988  0.274573  1
  H  H4  1  0.503460  0.005463  0.331692  1
  H  H5  1  0.932747  0.944747  0.274574  1
  H  H6  1  0.255227  0.253694  0.331691  1
  H  H7  1  0.342573  0.847576  0.303576  1
  H  H8  1  0.840058  0.335052  0.301170  1
  H  H9  1  0.636653  0.889411  0.288399  1
  H  H10  1  0.139180  0.386892  0.288398  1
  H  H11  1  0.047038  0.797273  0.317625  1
  H  H12  1  0.547769  0.298002  0.316837  1
  H  H13  1  0.886610  0.636844  0.288474  1
  H  H14  1  0.394313  0.144547  0.287250  1
  H  H15  1  0.296970  0.547153  0.317587  1
  H  H16  1  0.796920  0.047206  0.317588  1
  H  H17  1  0.419023  0.418381  0.359281  1
  H  H18  1  0.917330  0.917974  0.359256  1
  H  H19  1  0.002516  0.502164  0.331065  1
  H  H20  1  0.334856  0.834096  0.387006  1
  H  H21  1  0.751932  0.752749  0.331066  1
  H  H22  1  0.083864  0.085089  0.387006  1
  H  H23  1  0.167742  0.667563  0.359256  1
  H  H24  1  0.668149  0.169256  0.359281  1
  H  H25  1  0.460726  0.710849  0.345190  1
  H  H26  1  0.960617  0.210958  0.345190  1
  H  H27  1  0.876052  0.626283  0.372845  1
  H  H28  1  0.376156  0.126389  0.373338  1
  H  H29  1  0.710710  0.460940  0.344632  1
  H  H30  1  0.210197  0.960431  0.345801  1
  H  H31  1  0.126157  0.376559  0.373056  1
  H  H32  1  0.626326  0.876389  0.373056  1
  H  H33  1  0.251063  0.251645  0.414657  1
  H  H34  1  0.751385  0.751365  0.414540  1
  H  H35  1  0.834342  0.335312  0.386732  1
  H  H36  1  0.167844  0.668095  0.442310  1
  H  H37  1  0.585079  0.584574  0.386731  1
  H  H38  1  0.917861  0.918078  0.442310  1
  H  H39  1  0.001132  0.501619  0.414540  1
  H  H40  1  0.501411  0.001296  0.414657  1
  H  H41  1  0.293060  0.542995  0.400780  1
  H  H42  1  0.792762  0.043293  0.400780  1
  H  H43  1  0.709593  0.459827  0.428414  1
  H  H44  1  0.209569  0.959802  0.428469  1
  H  H45  1  0.542928  0.293162  0.400871  1
  H  H46  1  0.042894  0.793127  0.400713  1
  H  H47  1  0.959319  0.210054  0.428450  1
  H  H48  1  0.459820  0.709552  0.428450  1
  H  H49  1  0.084413  0.084709  0.470030  1
  H  H50  1  0.584497  0.584653  0.470032  1
  H  H51  1  0.667885  0.168080  0.442356  1
  H  H52  1  0.001051  0.501292  0.497752  1
  H  H53  1  0.417846  0.418119  0.442356  1
  H  H54  1  0.751056  0.751286  0.497752  1
  H  H55  1  0.834418  0.334731  0.470032  1
  H  H56  1  0.334474  0.834648  0.470030  1
  H  H57  1  0.126068  0.376460  0.456177  1
  H  H58  1  0.626226  0.876302  0.456177  1
  H  H59  1  0.542745  0.292981  0.483906  1
  H  H60  1  0.042746  0.792981  0.483894  1
  H  H61  1  0.376154  0.126388  0.456188  1
  H  H62  1  0.876142  0.626376  0.456159  1
  H  H63  1  0.792758  0.042971  0.483901  1
  H  H64  1  0.292736  0.542993  0.483901  1
  H  H65  1  0.917623  0.917920  0.525476  1
  H  H66  1  0.417678  0.417836  0.525474  1
  H  H67  1  0.501041  1.001282  0.497754  1
  H  H68  1  0.834251  0.334449  0.553149  1
  H  H69  1  0.251046  0.251276  0.497754  1
  H  H70  1  0.584212  0.584488  0.553149  1
  H  H71  1  0.667600  0.167915  0.525474  1
  H  H72  1  0.167684  0.667859  0.525476  1
  H  H73  1  0.959361  0.209574  0.511604  1
  H  H74  1  0.459339  0.709597  0.511604  1
  H  H75  1  0.375955  0.126192  0.539347  1
  H  H76  1  0.875943  0.626180  0.539318  1
  H  H77  1  0.209351  0.959586  0.511611  1
  H  H78  1  0.709352  0.459587  0.511600  1
  H  H79  1  0.625871  0.876266  0.539329  1
  H  H80  1  0.126029  0.376108  0.539329  1
  H  H81  1  0.750686  0.751271  0.580849  1
  H  H82  1  0.250965  0.250949  0.580965  1
  H  H83  1  0.334236  0.834490  0.553196  1
  H  H84  1  0.667018  0.167994  0.608774  1
  H  H85  1  0.084253  0.084473  0.553196  1
  H  H86  1  0.417755  0.417256  0.608774  1
  H  H87  1  0.500711  1.001203  0.580965  1
  H  H88  1  1.001034  0.500923  0.580849  1
  H  H89  1  0.792277  0.043016  0.567056  1
  H  H90  1  0.292778  0.542514  0.567055  1
  H  H91  1  0.209203  0.959441  0.594792  1
  H  H92  1  0.709169  0.459406  0.594634  1
  H  H93  1  0.042528  0.792766  0.567036  1
  H  H94  1  0.542504  0.292741  0.567092  1
  H  H95  1  0.459335  0.709275  0.594725  1
  H  H96  1  0.959037  0.209573  0.594726  1
  H  H97  1  0.583948  0.583312  0.636225  1
  H  H98  1  0.084355  0.085005  0.636250  1
  H  H99  1  0.168233  0.667479  0.608499  1
  H  H100  1  0.500165  0.999819  0.664440  1
  H  H101  1  0.917241  0.918472  0.608500  1
  H  H102  1  0.249581  0.250404  0.664440  1
  H  H103  1  0.334766  0.834594  0.636249  1
  H  H104  1  0.833074  0.334187  0.636225  1
  H  H105  1  0.625771  0.876178  0.622450  1
  H  H106  1  0.125940  0.376009  0.622450  1
  H  H107  1  0.041899  0.792137  0.649705  1
  H  H108  1  0.541387  0.291627  0.650874  1
  H  H109  1  0.875941  0.626178  0.622168  1
  H  H110  1  0.376045  0.126285  0.622661  1
  H  H111  1  0.291480  0.541610  0.650315  1
  H  H112  1  0.791371  0.041719  0.650316  1
  H  H113  1  0.412039  0.417516  0.694335  1
  H  H114  1  0.909524  0.904992  0.691930  1
  H  H115  1  0.996870  0.498873  0.663815  1
  H  H116  1  0.319350  0.807821  0.720932  1
  H  H117  1  0.748637  0.747105  0.663814  1
  H  H118  1  0.057581  0.069580  0.720932  1
  H  H119  1  0.154756  0.659758  0.691931  1
  H  H120  1  0.667277  0.162280  0.694335  1
  H  H121  1  0.455177  0.705362  0.677918  1
  H  H122  1  0.955127  0.205415  0.677918  1
  H  H123  1  0.857784  0.608021  0.708255  1
  H  H124  1  0.365487  0.115723  0.707032  1
  H  H125  1  0.704328  0.454565  0.678668  1
  H  H126  1  0.205059  0.955295  0.677881  1
  H  H127  1  0.112917  0.365676  0.707108  1
  H  H128  1  0.615444  0.863157  0.707107  1
