# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18784245
_cell_length_b   10.17902222
_cell_length_c   35.48638637
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.19056037
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H108
_cell_volume   2235.13976386
_cell_formula_units_Z   54
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  1.104993  0.681014  0.457484  1
  H  H2  1  0.744732  0.761078  0.449730  1
  H  H3  1  0.376475  -0.169722  0.441893  1
  H  H4  1  0.376475  0.330278  0.441893  1
  H  H5  1  1.104993  0.181014  0.457484  1
  H  H6  1  0.744732  0.261078  0.449730  1
  H  H7  1  0.205448  0.468692  0.482137  1
  H  H8  1  0.840233  0.531333  0.471078  1
  H  H9  1  0.474489  0.605096  0.463806  1
  H  H10  1  0.474489  0.105096  0.463806  1
  H  H11  1  0.205448  -0.031308  0.482137  1
  H  H12  1  0.840233  0.031333  0.471078  1
  H  H13  1  0.324509  0.255453  0.506363  1
  H  H14  1  0.954145  0.327498  0.499509  1
  H  H15  1  0.580616  0.399412  0.492274  1
  H  H16  1  0.580616  -0.100588  0.492274  1
  H  H17  1  0.324509  0.755453  0.506363  1
  H  H18  1  0.954145  -0.172502  0.499509  1
  H  H19  1  0.430733  0.048836  0.530513  1
  H  H20  1  1.060233  0.117420  0.522158  1
  H  H21  1  0.693613  0.184532  0.513352  1
  H  H22  1  0.693613  0.684532  0.513352  1
  H  H23  1  0.430733  0.548836  0.530513  1
  H  H24  1  1.060233  0.617420  0.522158  1
  H  H25  1  0.546871  -0.164451  0.554794  1
  H  H26  1  0.176811  -0.093554  0.546704  1
  H  H27  1  0.804903  -0.022319  0.538630  1
  H  H28  1  0.804903  0.477681  0.538630  1
  H  H29  1  0.546871  0.335549  0.554794  1
  H  H30  1  0.176811  0.406446  0.546704  1
  H  H31  1  0.656444  0.626749  0.578547  1
  H  H32  1  0.285116  0.697200  0.570708  1
  H  H33  1  0.915388  0.766702  0.562690  1
  H  H34  1  0.915388  0.266702  0.562690  1
  H  H35  1  0.656444  0.126749  0.578547  1
  H  H36  1  0.285116  0.197200  0.570708  1
  H  H37  1  0.768539  0.416731  0.602991  1
  H  H38  1  0.398374  0.486527  0.594818  1
  H  H39  1  1.027554  0.556619  0.586758  1
  H  H40  1  1.027554  0.056619  0.586758  1
  H  H41  1  0.768539  -0.083269  0.602991  1
  H  H42  1  0.398374  -0.013473  0.594818  1
  H  H43  1  0.879814  0.206406  0.627073  1
  H  H44  1  0.509455  0.276379  0.619105  1
  H  H45  1  1.138684  0.346723  0.611110  1
  H  H46  1  1.138684  -0.153277  0.611110  1
  H  H47  1  0.879814  0.706406  0.627073  1
  H  H48  1  0.509455  0.776379  0.619105  1
  H  H49  1  0.991460  -0.003507  0.651336  1
  H  H50  1  0.620916  0.066484  0.643214  1
  H  H51  1  0.250488  0.136417  0.635139  1
  H  H52  1  0.250488  0.636417  0.635139  1
  H  H53  1  0.991460  0.496493  0.651336  1
  H  H54  1  0.620916  0.566484  0.643214  1
  H  H55  1  1.103210  0.786332  0.675541  1
  H  H56  1  0.732783  -0.143735  0.667465  1
  H  H57  1  0.362238  -0.073743  0.659343  1
  H  H58  1  0.362238  0.426257  0.659343  1
  H  H59  1  1.103210  0.286332  0.675541  1
  H  H60  1  0.732783  0.356265  0.667465  1
  H  H61  1  0.215015  0.576027  0.699569  1
  H  H62  1  0.844243  0.646370  0.691574  1
  H  H63  1  0.473884  0.716344  0.683607  1
  H  H64  1  0.473884  0.216344  0.683607  1
  H  H65  1  0.215015  0.076027  0.699569  1
  H  H66  1  0.844243  0.146370  0.691574  1
  H  H67  1  0.326144  0.366131  0.723922  1
  H  H68  1  0.955324  0.436223  0.715861  1
  H  H69  1  0.585159  0.506019  0.707689  1
  H  H70  1  0.585159  0.006019  0.707689  1
  H  H71  1  0.326144  -0.133869  0.723922  1
  H  H72  1  0.955324  -0.063777  0.715861  1
  H  H73  1  0.438311  0.156048  0.747990  1
  H  H74  1  1.068583  0.225550  0.739972  1
  H  H75  1  0.697254  0.296001  0.732133  1
  H  H76  1  0.697254  0.796001  0.732133  1
  H  H77  1  0.438311  0.656048  0.747990  1
  H  H78  1  1.068583  0.725550  0.739972  1
  H  H79  1  0.548796  -0.054931  0.772049  1
  H  H80  1  0.176888  0.016303  0.763975  1
  H  H81  1  0.806827  0.087201  0.755885  1
  H  H82  1  0.806827  0.587201  0.755885  1
  H  H83  1  0.548796  0.445069  0.772049  1
  H  H84  1  0.176888  0.516303  0.763975  1
  H  H85  1  0.660085  0.738218  0.797328  1
  H  H86  1  0.293465  -0.194670  0.788522  1
  H  H87  1  0.922965  -0.126087  0.780167  1
  H  H88  1  0.922965  0.373913  0.780167  1
  H  H89  1  0.660085  0.238218  0.797328  1
  H  H90  1  0.293465  0.305330  0.788522  1
  H  H91  1  0.773082  0.523338  0.818406  1
  H  H92  1  0.399554  0.595252  0.811170  1
  H  H93  1  1.029189  0.667296  0.804316  1
  H  H94  1  1.029189  0.167296  0.804316  1
  H  H95  1  0.773082  0.023338  0.818406  1
  H  H96  1  0.399554  0.095252  0.811170  1
  H  H97  1  0.879210  0.317654  0.846874  1
  H  H98  1  0.513465  0.391417  0.839601  1
  H  H99  1  0.148250  0.454057  0.828542  1
  H  H100  1  0.148250  -0.045943  0.828542  1
  H  H101  1  0.879210  -0.182346  0.846874  1
  H  H102  1  0.513465  -0.108583  0.839601  1
  H  H103  1  0.977223  0.092471  0.868787  1
  H  H104  1  0.608966  0.161672  0.860949  1
  H  H105  1  0.248705  0.241735  0.853195  1
  H  H106  1  0.248705  0.741735  0.853195  1
  H  H107  1  0.977223  0.592471  0.868787  1
  H  H108  1  0.608966  0.661672  0.860949  1
