# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.74821613
_cell_length_b   16.43805377
_cell_length_c   49.44746115
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   51.78868374
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H504
_cell_volume   13251.0750078
_cell_formula_units_Z   252
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  0.389199  0.256880  0.330923  1
  H  H2  1  0.055866  0.256880  0.330923  1
  H  H3  1  0.418204  0.864360  0.310090  1
  H  H4  1  0.722532  0.256880  0.330923  1
  H  H5  1  0.084871  0.864360  0.310090  1
  H  H6  1  0.447210  0.471839  0.289256  1
  H  H7  1  0.751538  0.864360  0.310090  1
  H  H8  1  0.113877  0.471839  0.289256  1
  H  H9  1  0.780543  0.471839  0.289256  1
  H  H10  1  0.282557  0.301064  0.287810  1
  H  H11  1  0.949224  0.301064  0.287810  1
  H  H12  1  0.224546  0.086105  0.329477  1
  H  H13  1  0.615890  0.301064  0.287810  1
  H  H14  1  0.891213  0.086105  0.329477  1
  H  H15  1  0.253551  0.693584  0.308643  1
  H  H16  1  0.557879  0.086105  0.329477  1
  H  H17  1  0.920218  0.693584  0.308643  1
  H  H18  1  0.586885  0.693584  0.308643  1
  H  H19  1  0.542950  0.082027  0.316357  1
  H  H20  1  0.209616  0.082027  0.316357  1
  H  H21  1  0.571955  0.689507  0.295523  1
  H  H22  1  0.876283  0.082027  0.316357  1
  H  H23  1  0.238622  0.689507  0.295523  1
  H  H24  1  0.513944  0.474548  0.337190  1
  H  H25  1  0.905288  0.689507  0.295523  1
  H  H26  1  0.180611  0.474548  0.337190  1
  H  H27  1  0.847277  0.474548  0.337190  1
  H  H28  1  0.349291  0.303772  0.335744  1
  H  H29  1  0.015958  0.303772  0.335744  1
  H  H30  1  0.378297  0.911252  0.314910  1
  H  H31  1  0.682624  0.303772  0.335744  1
  H  H32  1  0.044963  0.911252  0.314910  1
  H  H33  1  0.407302  0.518731  0.294077  1
  H  H34  1  0.711630  0.911252  0.314910  1
  H  H35  1  0.073969  0.518731  0.294077  1
  H  H36  1  0.740635  0.518731  0.294077  1
  H  H37  1  0.280543  0.471839  0.289256  1
  H  H38  1  0.947210  0.471839  0.289256  1
  H  H39  1  0.222532  0.256880  0.330923  1
  H  H40  1  0.613877  0.471839  0.289256  1
  H  H41  1  0.889199  0.256880  0.330923  1
  H  H42  1  0.251538  0.864360  0.310090  1
  H  H43  1  0.555866  0.256880  0.330923  1
  H  H44  1  0.918204  0.864360  0.310090  1
  H  H45  1  0.584871  0.864360  0.310090  1
  H  H46  1  0.449224  0.301064  0.287810  1
  H  H47  1  0.115890  0.301064  0.287810  1
  H  H48  1  0.391213  0.086105  0.329477  1
  H  H49  1  0.782557  0.301064  0.287810  1
  H  H50  1  0.057879  0.086105  0.329477  1
  H  H51  1  0.420218  0.693584  0.308643  1
  H  H52  1  0.724546  0.086105  0.329477  1
  H  H53  1  0.086885  0.693584  0.308643  1
  H  H54  1  0.753551  0.693584  0.308643  1
  H  H55  1  0.347277  0.474548  0.337190  1
  H  H56  1  0.013944  0.474548  0.337190  1
  H  H57  1  0.376283  0.082027  0.316357  1
  H  H58  1  0.680611  0.474548  0.337190  1
  H  H59  1  0.042950  0.082027  0.316357  1
  H  H60  1  0.405288  0.689507  0.295523  1
  H  H61  1  0.709616  0.082027  0.316357  1
  H  H62  1  0.071955  0.689507  0.295523  1
  H  H63  1  0.738622  0.689507  0.295523  1
  H  H64  1  0.515958  0.303772  0.335744  1
  H  H65  1  0.182624  0.303772  0.335744  1
  H  H66  1  0.544963  0.911252  0.314910  1
  H  H67  1  0.849291  0.303772  0.335744  1
  H  H68  1  0.211630  0.911252  0.314910  1
  H  H69  1  0.573969  0.518731  0.294077  1
  H  H70  1  0.878297  0.911252  0.314910  1
  H  H71  1  0.240635  0.518731  0.294077  1
  H  H72  1  0.907302  0.518731  0.294077  1
  H  H73  1  0.302182  0.434441  0.393423  1
  H  H74  1  0.968849  0.434441  0.393423  1
  H  H75  1  0.331188  0.041921  0.372590  1
  H  H76  1  0.635516  0.434441  0.393423  1
  H  H77  1  0.997855  0.041921  0.372590  1
  H  H78  1  0.360193  0.649401  0.351756  1
  H  H79  1  0.664521  0.041921  0.372590  1
  H  H80  1  0.026860  0.649401  0.351756  1
  H  H81  1  0.693527  0.649401  0.351756  1
  H  H82  1  0.195540  0.478625  0.350310  1
  H  H83  1  0.862207  0.478625  0.350310  1
  H  H84  1  0.137529  0.263666  0.391977  1
  H  H85  1  0.528874  0.478625  0.350310  1
  H  H86  1  0.804196  0.263666  0.391977  1
  H  H87  1  0.166535  0.871145  0.371143  1
  H  H88  1  0.470863  0.263666  0.391977  1
  H  H89  1  0.833201  0.871145  0.371143  1
  H  H90  1  0.499868  0.871145  0.371143  1
  H  H91  1  0.455933  0.259588  0.378857  1
  H  H92  1  0.122600  0.259588  0.378857  1
  H  H93  1  0.484939  0.867068  0.358023  1
  H  H94  1  0.789266  0.259588  0.378857  1
  H  H95  1  0.151605  0.867068  0.358023  1
  H  H96  1  0.426927  0.652109  0.399690  1
  H  H97  1  0.818272  0.867068  0.358023  1
  H  H98  1  0.093594  0.652109  0.399690  1
  H  H99  1  0.760261  0.652109  0.399690  1
  H  H100  1  0.262274  0.481333  0.398244  1
  H  H101  1  0.928941  0.481333  0.398244  1
  H  H102  1  0.291280  0.088813  0.377410  1
  H  H103  1  0.595608  0.481333  0.398244  1
  H  H104  1  0.957947  0.088813  0.377410  1
  H  H105  1  0.320285  0.696293  0.356577  1
  H  H106  1  0.624613  0.088813  0.377410  1
  H  H107  1  0.986952  0.696293  0.356577  1
  H  H108  1  0.653619  0.696293  0.356577  1
  H  H109  1  0.193527  0.649401  0.351756  1
  H  H110  1  0.860193  0.649401  0.351756  1
  H  H111  1  0.135516  0.434441  0.393423  1
  H  H112  1  0.526860  0.649401  0.351756  1
  H  H113  1  0.802182  0.434441  0.393423  1
  H  H114  1  0.164521  0.041921  0.372590  1
  H  H115  1  0.468849  0.434441  0.393423  1
  H  H116  1  0.831188  0.041921  0.372590  1
  H  H117  1  0.497855  0.041921  0.372590  1
  H  H118  1  0.362207  0.478625  0.350310  1
  H  H119  1  0.028874  0.478625  0.350310  1
  H  H120  1  0.304196  0.263666  0.391977  1
  H  H121  1  0.695540  0.478625  0.350310  1
  H  H122  1  0.970863  0.263666  0.391977  1
  H  H123  1  0.333201  0.871145  0.371143  1
  H  H124  1  0.637529  0.263666  0.391977  1
  H  H125  1  0.999868  0.871145  0.371143  1
  H  H126  1  0.666535  0.871145  0.371143  1
  H  H127  1  0.260261  0.652109  0.399690  1
  H  H128  1  0.926927  0.652109  0.399690  1
  H  H129  1  0.289266  0.259588  0.378857  1
  H  H130  1  0.593594  0.652109  0.399690  1
  H  H131  1  0.955933  0.259588  0.378857  1
  H  H132  1  0.318272  0.867068  0.358023  1
  H  H133  1  0.622600  0.259588  0.378857  1
  H  H134  1  0.984939  0.867068  0.358023  1
  H  H135  1  0.651605  0.867068  0.358023  1
  H  H136  1  0.428941  0.481333  0.398244  1
  H  H137  1  0.095608  0.481333  0.398244  1
  H  H138  1  0.457947  0.088813  0.377410  1
  H  H139  1  0.762274  0.481333  0.398244  1
  H  H140  1  0.124613  0.088813  0.377410  1
  H  H141  1  0.486952  0.696293  0.356577  1
  H  H142  1  0.791280  0.088813  0.377410  1
  H  H143  1  0.153619  0.696293  0.356577  1
  H  H144  1  0.820285  0.696293  0.356577  1
  H  H145  1  0.215166  0.612003  0.455923  1
  H  H146  1  0.881832  0.612003  0.455923  1
  H  H147  1  0.244171  0.219482  0.435090  1
  H  H148  1  0.548499  0.612003  0.455923  1
  H  H149  1  0.910838  0.219482  0.435090  1
  H  H150  1  0.273177  0.826962  0.414256  1
  H  H151  1  0.577505  0.219482  0.435090  1
  H  H152  1  0.939843  0.826962  0.414256  1
  H  H153  1  0.606510  0.826962  0.414256  1
  H  H154  1  0.108524  0.656186  0.412810  1
  H  H155  1  0.775190  0.656186  0.412810  1
  H  H156  1  0.050513  0.441227  0.454477  1
  H  H157  1  0.441857  0.656186  0.412810  1
  H  H158  1  0.717179  0.441227  0.454477  1
  H  H159  1  0.079518  0.048707  0.433643  1
  H  H160  1  0.383846  0.441227  0.454477  1
  H  H161  1  0.746185  0.048707  0.433643  1
  H  H162  1  0.412852  0.048707  0.433643  1
  H  H163  1  0.368916  0.437150  0.441357  1
  H  H164  1  0.035583  0.437150  0.441357  1
  H  H165  1  0.397922  0.044629  0.420523  1
  H  H166  1  0.702250  0.437150  0.441357  1
  H  H167  1  0.064589  0.044629  0.420523  1
  H  H168  1  0.339911  0.829670  0.462190  1
  H  H169  1  0.731255  0.044629  0.420523  1
  H  H170  1  0.006578  0.829670  0.462190  1
  H  H171  1  0.673244  0.829670  0.462190  1
  H  H172  1  0.175258  0.658895  0.460744  1
  H  H173  1  0.841925  0.658895  0.460744  1
  H  H174  1  0.204263  0.266374  0.439910  1
  H  H175  1  0.508591  0.658895  0.460744  1
  H  H176  1  0.870930  0.266374  0.439910  1
  H  H177  1  0.233269  0.873854  0.419077  1
  H  H178  1  0.537597  0.266374  0.439910  1
  H  H179  1  0.899936  0.873854  0.419077  1
  H  H180  1  0.566602  0.873854  0.419077  1
  H  H181  1  0.106510  0.826962  0.414256  1
  H  H182  1  0.773177  0.826962  0.414256  1
  H  H183  1  0.048499  0.612003  0.455923  1
  H  H184  1  0.439843  0.826962  0.414256  1
  H  H185  1  0.715166  0.612003  0.455923  1
  H  H186  1  0.077505  0.219482  0.435090  1
  H  H187  1  0.381832  0.612003  0.455923  1
  H  H188  1  0.744171  0.219482  0.435090  1
  H  H189  1  0.410838  0.219482  0.435090  1
  H  H190  1  0.275190  0.656186  0.412810  1
  H  H191  1  0.941857  0.656186  0.412810  1
  H  H192  1  0.217179  0.441227  0.454477  1
  H  H193  1  0.608524  0.656186  0.412810  1
  H  H194  1  0.883846  0.441227  0.454477  1
  H  H195  1  0.246185  0.048707  0.433643  1
  H  H196  1  0.550513  0.441227  0.454477  1
  H  H197  1  0.912852  0.048707  0.433643  1
  H  H198  1  0.579518  0.048707  0.433643  1
  H  H199  1  0.173244  0.829670  0.462190  1
  H  H200  1  0.839911  0.829670  0.462190  1
  H  H201  1  0.202250  0.437150  0.441357  1
  H  H202  1  0.506578  0.829670  0.462190  1
  H  H203  1  0.868916  0.437150  0.441357  1
  H  H204  1  0.231255  0.044629  0.420523  1
  H  H205  1  0.535583  0.437150  0.441357  1
  H  H206  1  0.897922  0.044629  0.420523  1
  H  H207  1  0.564589  0.044629  0.420523  1
  H  H208  1  0.341925  0.658895  0.460744  1
  H  H209  1  0.008591  0.658895  0.460744  1
  H  H210  1  0.370930  0.266374  0.439910  1
  H  H211  1  0.675258  0.658895  0.460744  1
  H  H212  1  0.037597  0.266374  0.439910  1
  H  H213  1  0.399936  0.873854  0.419077  1
  H  H214  1  0.704263  0.266374  0.439910  1
  H  H215  1  0.066602  0.873854  0.419077  1
  H  H216  1  0.733269  0.873854  0.419077  1
  H  H217  1  0.128149  0.789564  0.518423  1
  H  H218  1  0.794816  0.789564  0.518423  1
  H  H219  1  0.157155  0.397043  0.497590  1
  H  H220  1  0.461483  0.789564  0.518423  1
  H  H221  1  0.823821  0.397043  0.497590  1
  H  H222  1  0.186160  0.004523  0.476756  1
  H  H223  1  0.490488  0.397043  0.497590  1
  H  H224  1  0.852827  0.004523  0.476756  1
  H  H225  1  0.519494  0.004523  0.476756  1
  H  H226  1  0.021507  0.833747  0.475310  1
  H  H227  1  0.688174  0.833747  0.475310  1
  H  H228  1  0.963496  0.618788  0.516977  1
  H  H229  1  0.354840  0.833747  0.475310  1
  H  H230  1  0.630163  0.618788  0.516977  1
  H  H231  1  0.992502  0.226268  0.496143  1
  H  H232  1  0.296829  0.618788  0.516977  1
  H  H233  1  0.659168  0.226268  0.496143  1
  H  H234  1  0.325835  0.226268  0.496143  1
  H  H235  1  0.281900  0.614711  0.503857  1
  H  H236  1  0.948567  0.614711  0.503857  1
  H  H237  1  0.310905  0.222190  0.483023  1
  H  H238  1  0.615233  0.614711  0.503857  1
  H  H239  1  0.977572  0.222190  0.483023  1
  H  H240  1  0.252894  0.007231  0.524690  1
  H  H241  1  0.644239  0.222190  0.483023  1
  H  H242  1  0.919561  0.007231  0.524690  1
  H  H243  1  0.586228  0.007231  0.524690  1
  H  H244  1  0.088241  0.836456  0.523244  1
  H  H245  1  0.754908  0.836456  0.523244  1
  H  H246  1  0.117247  0.443935  0.502410  1
  H  H247  1  0.421575  0.836456  0.523244  1
  H  H248  1  0.783913  0.443935  0.502410  1
  H  H249  1  0.146252  0.051415  0.481577  1
  H  H250  1  0.450580  0.443935  0.502410  1
  H  H251  1  0.812919  0.051415  0.481577  1
  H  H252  1  0.479586  0.051415  0.481577  1
  H  H253  1  0.019494  0.004523  0.476756  1
  H  H254  1  0.686160  0.004523  0.476756  1
  H  H255  1  0.961483  0.789564  0.518423  1
  H  H256  1  0.352827  0.004523  0.476756  1
  H  H257  1  0.628149  0.789564  0.518423  1
  H  H258  1  0.990488  0.397043  0.497590  1
  H  H259  1  0.294816  0.789564  0.518423  1
  H  H260  1  0.657155  0.397043  0.497590  1
  H  H261  1  0.323821  0.397043  0.497590  1
  H  H262  1  0.188174  0.833747  0.475310  1
  H  H263  1  0.854840  0.833747  0.475310  1
  H  H264  1  0.130163  0.618788  0.516977  1
  H  H265  1  0.521507  0.833747  0.475310  1
  H  H266  1  0.796829  0.618788  0.516977  1
  H  H267  1  0.159168  0.226268  0.496143  1
  H  H268  1  0.463496  0.618788  0.516977  1
  H  H269  1  0.825835  0.226268  0.496143  1
  H  H270  1  0.492502  0.226268  0.496143  1
  H  H271  1  0.086228  0.007231  0.524690  1
  H  H272  1  0.752894  0.007231  0.524690  1
  H  H273  1  0.115233  0.614711  0.503857  1
  H  H274  1  0.419561  0.007231  0.524690  1
  H  H275  1  0.781900  0.614711  0.503857  1
  H  H276  1  0.144239  0.222190  0.483023  1
  H  H277  1  0.448567  0.614711  0.503857  1
  H  H278  1  0.810905  0.222190  0.483023  1
  H  H279  1  0.477572  0.222190  0.483023  1
  H  H280  1  0.254908  0.836456  0.523244  1
  H  H281  1  0.921575  0.836456  0.523244  1
  H  H282  1  0.283913  0.443935  0.502410  1
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  H  H504  1  0.385203  0.584098  0.669077  1
