# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03437293
_cell_length_b   11.71998808
_cell_length_c   48.21853555
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.11723672
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H162
_cell_volume   3407.82080185
_cell_formula_units_Z   81
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  0.688204  0.356127  0.291884  1
  H  H2  1  0.643986  0.043122  0.276167  1
  H  H3  1  0.717227  0.674693  0.310230  1
  H  H4  1  0.021538  0.022794  0.291884  1
  H  H5  1  0.977319  0.709789  0.276167  1
  H  H6  1  0.354871  0.689460  0.291884  1
  H  H7  1  0.050560  0.341360  0.310230  1
  H  H8  1  0.310653  0.376456  0.276167  1
  H  H9  1  0.383893  0.008026  0.310230  1
  H  H10  1  0.631497  0.176478  0.311144  1
  H  H11  1  0.618461  0.851780  0.292532  1
  H  H12  1  0.581859  0.541083  0.277784  1
  H  H13  1  0.964830  0.843145  0.311144  1
  H  H14  1  0.951794  0.518447  0.292532  1
  H  H15  1  0.298164  0.509811  0.311144  1
  H  H16  1  0.915192  0.207749  0.277784  1
  H  H17  1  0.285127  0.185114  0.292532  1
  H  H18  1  0.248525  0.874416  0.277784  1
  H  H19  1  0.765273  0.316235  0.341344  1
  H  H20  1  0.742568  0.995985  0.325003  1
  H  H21  1  0.787041  0.636589  0.357248  1
  H  H22  1  0.098606  0.982902  0.341344  1
  H  H23  1  0.075901  0.662652  0.325003  1
  H  H24  1  0.431939  0.649568  0.341344  1
  H  H25  1  0.120374  0.303255  0.357248  1
  H  H26  1  0.409234  0.329319  0.325003  1
  H  H27  1  0.453707  0.969922  0.357248  1
  H  H28  1  0.689069  0.135497  0.357943  1
  H  H29  1  0.669079  0.816422  0.342083  1
  H  H30  1  0.653114  0.493640  0.325967  1
  H  H31  1  0.022402  0.802164  0.357943  1
  H  H32  1  1.002412  0.483089  0.342083  1
  H  H33  1  0.355736  0.468831  0.357943  1
  H  H34  1  0.986448  0.160307  0.325967  1
  H  H35  1  0.335746  0.149755  0.342083  1
  H  H36  1  0.319781  0.826974  0.325967  1
  H  H37  1  0.827600  0.277353  0.388902  1
  H  H38  1  0.807839  0.956925  0.372942  1
  H  H39  1  0.847536  0.597785  0.404742  1
  H  H40  1  0.160934  0.944020  0.388902  1
  H  H41  1  0.141172  0.623591  0.372942  1
  H  H42  1  0.494267  0.610687  0.388902  1
  H  H43  1  0.180869  0.264452  0.404742  1
  H  H44  1  0.474505  0.290258  0.372942  1
  H  H45  1  0.514202  0.931119  0.404742  1
  H  H46  1  0.746305  0.097135  0.405228  1
  H  H47  1  0.726807  0.776981  0.389425  1
  H  H48  1  0.707714  0.456498  0.373652  1
  H  H49  1  0.079639  0.763802  0.405228  1
  H  H50  1  0.060140  0.443648  0.389425  1
  H  H51  1  0.412972  0.430468  0.405228  1
  H  H52  1  0.041048  0.123165  0.373652  1
  H  H53  1  0.393474  0.110315  0.389425  1
  H  H54  1  0.374381  0.789831  0.373652  1
  H  H55  1  0.886773  0.238438  0.436416  1
  H  H56  1  0.867174  0.918082  0.420563  1
  H  H57  1  0.906414  0.558822  0.452255  1
  H  H58  1  0.220106  0.905105  0.436416  1
  H  H59  1  0.200507  0.584749  0.420563  1
  H  H60  1  0.553439  0.571771  0.436416  1
  H  H61  1  0.239747  0.225489  0.452255  1
  H  H62  1  0.533840  0.251415  0.420563  1
  H  H63  1  0.573080  0.892156  0.452255  1
  H  H64  1  0.805091  0.058369  0.452692  1
  H  H65  1  0.785444  0.738028  0.436866  1
  H  H66  1  0.765868  0.417658  0.421046  1
  H  H67  1  0.138424  0.725035  0.452692  1
  H  H68  1  0.118777  0.404694  0.436866  1
  H  H69  1  0.471757  0.391702  0.452692  1
  H  H70  1  0.099201  0.084324  0.421046  1
  H  H71  1  0.452110  0.071361  0.436866  1
  H  H72  1  0.432534  0.750991  0.421046  1
  H  H73  1  0.945652  0.199535  0.483922  1
  H  H74  1  0.926031  0.879176  0.468087  1
  H  H75  1  0.965276  0.519908  0.499756  1
  H  H76  1  0.278985  0.866201  0.483922  1
  H  H77  1  0.259365  0.545843  0.468087  1
  H  H78  1  0.612318  0.532868  0.483922  1
  H  H79  1  0.298610  0.186575  0.499756  1
  H  H80  1  0.592698  0.212510  0.468087  1
  H  H81  1  0.631943  0.853241  0.499756  1
  H  H82  1  0.863965  0.019481  0.500191  1
  H  H83  1  0.844344  0.699123  0.484356  1
  H  H84  1  0.824720  0.378750  0.468523  1
  H  H85  1  0.197298  0.686148  0.500191  1
  H  H86  1  0.177678  0.365790  0.484356  1
  H  H87  1  0.530632  0.352814  0.500191  1
  H  H88  1  0.158053  0.045416  0.468523  1
  H  H89  1  0.511011  0.032456  0.484356  1
  H  H90  1  0.491387  0.712083  0.468523  1
  H  H91  1  1.004553  0.160630  0.531412  1
  H  H92  1  0.984905  0.840289  0.515587  1
  H  H93  1  0.024129  0.481000  0.547233  1
  H  H94  1  0.337886  0.827296  0.531412  1
  H  H95  1  0.318239  0.506955  0.515587  1
  H  H96  1  0.671219  0.493963  0.531412  1
  H  H97  1  0.357462  0.147666  0.547233  1
  H  H98  1  0.651572  0.173622  0.515587  1
  H  H99  1  0.690795  0.814333  0.547233  1
  H  H100  1  0.922823  0.980576  0.547716  1
  H  H101  1  0.903224  0.660220  0.531862  1
  H  H102  1  0.883583  0.339835  0.516024  1
  H  H103  1  0.256156  0.647242  0.547716  1
  H  H104  1  0.236557  0.326886  0.531862  1
  H  H105  1  0.589489  0.313909  0.547716  1
  H  H106  1  0.216916  0.006502  0.516024  1
  H  H107  1  0.569890  0.993553  0.531862  1
  H  H108  1  0.550249  0.673169  0.516024  1
  H  H109  1  0.063189  0.121676  0.578853  1
  H  H110  1  0.043691  0.801523  0.563051  1
  H  H111  1  0.082282  0.442160  0.594626  1
  H  H112  1  0.396523  0.788343  0.578853  1
  H  H113  1  0.377024  0.468189  0.563051  1
  H  H114  1  0.729856  0.455010  0.578853  1
  H  H115  1  0.415615  0.108826  0.594626  1
  H  H116  1  0.710358  0.134856  0.563051  1
  H  H117  1  0.748948  0.775493  0.594626  1
  H  H118  1  0.982157  0.941733  0.595336  1
  H  H119  1  0.962396  0.621304  0.579376  1
  H  H120  1  0.942460  0.300872  0.563536  1
  H  H121  1  0.315491  0.608400  0.595336  1
  H  H122  1  0.295729  0.287971  0.579376  1
  H  H123  1  0.648824  0.275066  0.595336  1
  H  H124  1  0.275794  0.967539  0.563536  1
  H  H125  1  0.629062  0.954637  0.579376  1
  H  H126  1  0.609127  0.634206  0.563536  1
  H  H127  1  0.120917  0.082236  0.626195  1
  H  H128  1  0.100927  0.763160  0.610336  1
  H  H129  1  0.136882  0.405017  0.642312  1
  H  H130  1  0.454250  0.748902  0.626195  1
  H  H131  1  0.434261  0.429827  0.610336  1
  H  H132  1  0.787584  0.415569  0.626195  1
  H  H133  1  0.470215  0.071684  0.642312  1
  H  H134  1  0.767594  0.096493  0.610336  1
  H  H135  1  0.803548  0.738350  0.642312  1
  H  H136  1  0.047429  0.902672  0.643276  1
  H  H137  1  0.024724  0.582422  0.626935  1
  H  H138  1  1.002956  0.262069  0.611030  1
  H  H139  1  0.380762  0.569339  0.643276  1
  H  H140  1  0.358057  0.249089  0.626935  1
  H  H141  1  0.714095  0.236006  0.643276  1
  H  H142  1  0.336289  0.928736  0.611030  1
  H  H143  1  0.691390  0.915756  0.626935  1
  H  H144  1  0.669622  0.595402  0.611030  1
  H  H145  1  0.171536  0.046877  0.675747  1
  H  H146  1  0.158499  0.722180  0.657134  1
  H  H147  1  0.208137  0.357575  0.690494  1
  H  H148  1  0.504869  0.713544  0.675747  1
  H  H149  1  0.491832  0.388846  0.657134  1
  H  H150  1  0.838202  0.380211  0.675747  1
  H  H151  1  0.541471  0.024241  0.690494  1
  H  H152  1  0.825166  0.055513  0.657134  1
  H  H153  1  0.874804  0.690908  0.690494  1
  H  H154  1  0.146010  0.855535  0.692111  1
  H  H155  1  0.101792  0.542530  0.676394  1
  H  H156  1  0.072770  0.223964  0.658048  1
  H  H157  1  0.479343  0.522202  0.692111  1
  H  H158  1  0.435125  0.209197  0.676394  1
  H  H159  1  0.812677  0.188869  0.692111  1
  H  H160  1  0.406103  0.890631  0.658048  1
  H  H161  1  0.768459  0.875864  0.676394  1
  H  H162  1  0.739436  0.557298  0.658048  1
