# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47020118
_cell_length_b   4.89218577
_cell_length_c   55.25503689
_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   H96
_cell_volume   2019.32913423
_cell_formula_units_Z   48
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  0.827809  0.390094  0.222423  1
  H  H2  1  0.583226  0.529807  0.248117  1
  H  H3  1  0.327265  0.822117  0.239684  1
  H  H4  1  0.083226  0.679880  0.213935  1
  H  H5  1  0.839187  0.822117  0.239684  1
  H  H6  1  0.583226  1.086699  0.231391  1
  H  H7  1  0.338643  0.390094  0.222423  1
  H  H8  1  0.083226  1.121584  0.230442  1
  H  H9  1  0.831275  1.220924  0.260099  1
  H  H10  1  0.583226  0.336170  0.285784  1
  H  H11  1  0.333410  0.632337  0.276937  1
  H  H12  1  0.083226  0.513831  0.251635  1
  H  H13  1  0.833041  0.632337  0.276937  1
  H  H14  1  0.583226  0.922840  0.269160  1
  H  H15  1  0.335177  1.220924  0.260099  1
  H  H16  1  0.083226  0.931458  0.267774  1
  H  H17  1  0.832968  1.027177  0.296253  1
  H  H18  1  0.583226  1.136933  0.322494  1
  H  H19  1  0.333069  0.434576  0.313523  1
  H  H20  1  0.083226  0.323497  0.287580  1
  H  H21  1  0.833383  0.434576  0.313523  1
  H  H22  1  0.583226  0.728300  0.305314  1
  H  H23  1  0.333484  1.027177  0.296253  1
  H  H24  1  0.083226  0.733431  0.304262  1
  H  H25  1  0.832784  0.832944  0.332502  1
  H  H26  1  0.583226  0.941158  0.359215  1
  H  H27  1  0.332939  0.239156  0.350183  1
  H  H28  1  0.083226  1.129671  0.323611  1
  H  H29  1  0.833513  0.239156  0.350183  1
  H  H30  1  0.583226  0.534076  0.341603  1
  H  H31  1  0.333668  0.832944  0.332502  1
  H  H32  1  0.083226  0.538132  0.340962  1
  H  H33  1  0.832867  0.639154  0.368904  1
  H  H34  1  0.583226  0.745962  0.395842  1
  H  H35  1  0.333025  1.044140  0.386780  1
  H  H36  1  0.083226  0.936721  0.359917  1
  H  H37  1  0.833427  1.044140  0.386780  1
  H  H38  1  0.583226  0.340283  0.378028  1
  H  H39  1  0.333585  0.639154  0.368904  1
  H  H40  1  0.083226  0.343133  0.377598  1
  H  H41  1  0.833005  0.444914  0.405362  1
  H  H42  1  0.583226  0.551205  0.432395  1
  H  H43  1  0.333044  0.849383  0.423331  1
  H  H44  1  0.083226  0.742935  0.396321  1
  H  H45  1  0.833407  0.849383  0.423331  1
  H  H46  1  0.583226  1.146061  0.414505  1
  H  H47  1  0.333447  0.444914  0.405362  1
  H  H48  1  0.083226  1.148276  0.414170  1
  H  H49  1  0.833044  0.250428  0.441872  1
  H  H50  1  0.583226  0.356875  0.468882  1
  H  H51  1  0.333005  0.654897  0.459841  1
  H  H52  1  0.083226  0.548606  0.432808  1
  H  H53  1  0.833447  0.654897  0.459841  1
  H  H54  1  0.583226  0.951535  0.451033  1
  H  H55  1  0.333407  0.250428  0.441872  1
  H  H56  1  0.083226  0.953749  0.450698  1
  H  H57  1  0.833025  1.055670  0.478423  1
  H  H58  1  0.583226  1.163090  0.505286  1
  H  H59  1  0.332867  0.460656  0.496299  1
  H  H60  1  0.083226  0.353848  0.469361  1
  H  H61  1  0.833585  0.460656  0.496299  1
  H  H62  1  0.583226  0.756677  0.487605  1
  H  H63  1  0.333427  1.055670  0.478423  1
  H  H64  1  0.083226  0.759528  0.487175  1
  H  H65  1  0.832939  0.860654  0.515020  1
  H  H66  1  0.583226  0.970140  0.541592  1
  H  H67  1  0.332784  0.266867  0.532701  1
  H  H68  1  0.083226  1.158652  0.505988  1
  H  H69  1  0.833668  0.266867  0.532701  1
  H  H70  1  0.583226  0.561679  0.524241  1
  H  H71  1  0.333513  0.860654  0.515020  1
  H  H72  1  0.083226  0.565735  0.523600  1
  H  H73  1  0.833069  0.665235  0.551680  1
  H  H74  1  0.583226  0.776314  0.577623  1
  H  H75  1  0.332968  1.072634  0.568950  1
  H  H76  1  0.083226  0.962877  0.542709  1
  H  H77  1  0.833484  1.072634  0.568950  1
  H  H78  1  0.583226  0.366380  0.560941  1
  H  H79  1  0.333383  0.665235  0.551680  1
  H  H80  1  0.083226  0.371511  0.559889  1
  H  H81  1  0.833410  0.467474  0.588266  1
  H  H82  1  0.583226  0.585980  0.613568  1
  H  H83  1  0.331275  0.878887  0.605104  1
  H  H84  1  0.083226  0.763641  0.579419  1
  H  H85  1  0.835177  0.878887  0.605104  1
  H  H86  1  0.583226  1.168353  0.597429  1
  H  H87  1  0.333041  0.467474  0.588266  1
  H  H88  1  0.083226  1.176970  0.596043  1
  H  H89  1  0.827265  0.277694  0.625519  1
  H  H90  1  0.583226  0.419931  0.651268  1
  H  H91  1  0.327809  0.709716  0.642780  1
  H  H92  1  0.083226  0.570004  0.617086  1
  H  H93  1  0.838643  0.709716  0.642780  1
  H  H94  1  0.583226  0.978227  0.634761  1
  H  H95  1  0.339187  0.277694  0.625519  1
  H  H96  1  0.083226  1.013111  0.633812  1
