# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12231178
_cell_length_b   6.12048892
_cell_length_c   54.33142881
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H99
_cell_volume   2025.67739776
_cell_formula_units_Z   49
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  0.908853  0.190896  0.231497  1
  H  H2  1  0.230415  0.909455  0.231498  1
  H  H3  1  0.276015  0.279370  0.219079  1
  H  H4  1  0.565474  0.634781  0.232583  1
  H  H5  1  0.599153  1.001316  0.220318  1
  H  H6  1  0.549560  0.290266  0.248425  1
  H  H7  1  0.942651  0.557262  0.218333  1
  H  H8  1  0.875540  0.836325  0.246471  1
  H  H9  1  0.215287  0.561877  0.247450  1
  H  H10  1  0.825140  0.124823  0.273437  1
  H  H11  1  0.155648  0.858089  0.274001  1
  H  H12  1  0.185744  0.206789  0.260240  1
  H  H13  1  0.490787  0.590439  0.275159  1
  H  H14  1  0.511105  0.937801  0.261294  1
  H  H15  1  0.457234  0.241808  0.288793  1
  H  H16  1  0.854705  0.479251  0.259792  1
  H  H17  1  0.795115  0.772179  0.287134  1
  H  H18  1  0.127787  0.506817  0.287844  1
  H  H19  1  0.736766  0.067386  0.314153  1
  H  H20  1  0.068272  0.806410  0.314880  1
  H  H21  1  0.097870  0.156926  0.301239  1
  H  H22  1  0.399143  0.543879  0.315847  1
  H  H23  1  0.427785  0.893348  0.302227  1
  H  H24  1  0.368766  0.193629  0.329561  1
  H  H25  1  0.767244  0.418524  0.300572  1
  H  H26  1  0.707527  0.715478  0.327710  1
  H  H27  1  1.038753  0.455332  0.328570  1
  H  H28  1  0.648485  1.012902  0.354823  1
  H  H29  1  0.979444  0.753072  0.355736  1
  H  H30  1  1.009010  0.104160  0.342117  1
  H  H31  1  0.309980  0.492466  0.356723  1
  H  H32  1  0.339456  0.843056  0.343103  1
  H  H33  1  0.280062  0.141507  0.370356  1
  H  H34  1  0.678047  0.364213  0.341254  1
  H  H35  1  0.619034  0.661743  0.368403  1
  H  H36  1  0.949718  0.401839  0.369350  1
  H  H37  1  0.559741  0.959470  0.395556  1
  H  H38  1  0.890368  0.699603  0.396536  1
  H  H39  1  0.920012  1.050704  0.382937  1
  H  H40  1  0.220801  0.439622  0.397530  1
  H  H41  1  0.250504  0.790591  0.383930  1
  H  H42  1  0.191046  0.088549  0.411137  1
  H  H43  1  0.589376  0.310574  0.381972  1
  H  H44  1  0.530088  0.608368  0.409139  1
  H  H45  1  0.860622  0.348487  0.410132  1
  H  H46  1  0.470704  0.906178  0.436316  1
  H  H47  1  0.771483  0.295202  0.450908  1
  H  H48  1  0.801197  0.646296  0.437315  1
  H  H49  1  0.101999  1.035314  0.451908  1
  H  H50  1  0.131690  0.386414  0.438315  1
  H  H51  1  0.161394  0.737485  0.424722  1
  H  H52  1  0.500396  0.257279  0.422723  1
  H  H53  1  0.441000  0.555108  0.449909  1
  H  H54  1  0.830911  0.997391  0.423723  1
  H  H55  1  0.351891  0.502002  0.490701  1
  H  H56  1  0.682383  0.241888  0.491693  1
  H  H57  1  0.712027  0.592989  0.478095  1
  H  H58  1  1.013018  0.982019  0.492659  1
  H  H59  1  1.042654  0.333123  0.479075  1
  H  H60  1  0.072306  0.684225  0.465491  1
  H  H61  1  0.381594  0.852971  0.477100  1
  H  H62  1  0.411348  0.204043  0.463494  1
  H  H63  1  0.741773  0.944105  0.464499  1
  H  H64  1  0.262939  0.449537  0.531527  1
  H  H65  1  0.593385  0.188433  0.532514  1
  H  H66  1  0.622950  0.539521  0.518894  1
  H  H67  1  0.924347  0.928380  0.533377  1
  H  H68  1  0.953909  0.279691  0.519807  1
  H  H69  1  0.983361  0.630850  0.506228  1
  H  H70  1  0.292415  0.800127  0.517908  1
  H  H71  1  0.322333  0.151086  0.504275  1
  H  H72  1  0.652676  0.890754  0.505280  1
  H  H73  1  0.174610  0.399245  0.572404  1
  H  H74  1  0.504524  0.135667  0.573392  1
  H  H75  1  0.534122  0.486183  0.559751  1
  H  H76  1  0.835151  0.874069  0.574059  1
  H  H77  1  0.865629  0.225207  0.560478  1
  H  H78  1  0.894868  0.577115  0.546921  1
  H  H79  1  0.203252  0.748714  0.558784  1
  H  H80  1  0.233629  0.098963  0.545070  1
  H  H81  1  0.563642  0.837261  0.546061  1
  H  H82  1  0.091290  0.354791  0.613337  1
  H  H83  1  0.416651  0.085804  0.614391  1
  H  H84  1  0.446747  0.434503  0.600629  1
  H  H85  1  0.747689  0.813342  0.614839  1
  H  H86  1  0.777255  0.167770  0.601194  1
  H  H87  1  0.807280  0.520414  0.587497  1
  H  H88  1  0.111608  0.702153  0.599472  1
  H  H89  1  0.145161  1.050785  0.585837  1
  H  H90  1  0.474607  0.785775  0.586786  1
  H  H91  1  1.003241  0.291277  0.654312  1
  H  H92  1  0.326380  1.013223  0.655552  1
  H  H93  1  0.371979  0.383137  0.643132  1
  H  H94  1  0.659744  0.735330  0.656298  1
  H  H95  1  0.693542  0.101697  0.643133  1
  H  H96  1  0.726854  0.456267  0.628160  1
  H  H97  1  1.036921  0.657812  0.642048  1
  H  H98  1  1.052835  1.002327  0.626206  1
  H  H99  1  0.387108  0.730715  0.627181  1
