# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.36952985
_cell_length_b   11.36726157
_cell_length_c   49.25629824
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu252
_cell_volume   6333.99515865
_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
  Cu  Cu1  1  0.886501  0.219709  0.329411  1
  Cu  Cu2  1  0.218220  0.886344  0.329248  1
  Cu  Cu3  1  0.282595  0.282253  0.285190  1
  Cu  Cu4  1  0.646708  0.647463  0.265105  1
  Cu  Cu5  1  0.615190  0.946965  0.285014  1
  Cu  Cu6  1  0.581642  0.250710  0.307175  1
  Cu  Cu7  1  0.945305  0.613846  0.284363  1
  Cu  Cu8  1  0.917339  0.918364  0.308048  1
  Cu  Cu9  1  0.249026  0.583626  0.305875  1
  Cu  Cu10  1  0.115126  0.449723  0.285189  1
  Cu  Cu11  1  0.446731  0.112432  0.284364  1
  Cu  Cu12  1  0.416517  0.416130  0.305876  1
  Cu  Cu13  1  0.779846  0.782306  0.285014  1
  Cu  Cu14  1  0.751243  0.084461  0.308048  1
  Cu  Cu15  1  0.719239  0.385325  0.329248  1
  Cu  Cu16  1  0.083598  0.748753  0.307170  1
  Cu  Cu17  1  0.052603  0.053607  0.329411  1
  Cu  Cu18  1  0.480319  0.813860  0.265106  1
  Cu  Cu19  1  0.916513  0.416344  0.306108  1
  Cu  Cu20  1  0.249243  0.083615  0.306107  1
  Cu  Cu21  1  0.219388  0.386496  0.329324  1
  Cu  Cu22  1  0.583052  0.750168  0.308225  1
  Cu  Cu23  1  0.645726  0.145942  0.265211  1
  Cu  Cu24  1  0.615684  0.444842  0.284204  1
  Cu  Cu25  1  0.978790  0.812873  0.265210  1
  Cu  Cu26  1  0.948155  0.115285  0.284446  1
  Cu  Cu27  1  0.277733  0.782823  0.284206  1
  Cu  Cu28  1  0.083290  0.250391  0.305983  1
  Cu  Cu29  1  0.414241  0.918012  0.307208  1
  Cu  Cu30  1  0.385693  0.219176  0.329273  1
  Cu  Cu31  1  0.750896  0.581343  0.307204  1
  Cu  Cu32  1  0.812055  0.979202  0.264243  1
  Cu  Cu33  1  0.783721  0.281690  0.284593  1
  Cu  Cu34  1  0.052072  0.552801  0.329272  1
  Cu  Cu35  1  0.114558  0.950851  0.284593  1
  Cu  Cu36  1  0.446546  0.613667  0.284337  1
  Cu  Cu37  1  0.794149  0.128280  0.396024  1
  Cu  Cu38  1  0.127828  0.794272  0.395836  1
  Cu  Cu39  1  0.188433  0.189360  0.350968  1
  Cu  Cu40  1  0.552641  0.552297  0.328761  1
  Cu  Cu41  1  0.521347  0.856494  0.351471  1
  Cu  Cu42  1  0.491202  0.158640  0.373576  1
  Cu  Cu43  1  0.855950  0.521516  0.351271  1
  Cu  Cu44  1  0.825038  0.825050  0.373702  1
  Cu  Cu45  1  0.158235  0.491754  0.373532  1
  Cu  Cu46  1  0.022266  0.355528  0.350968  1
  Cu  Cu47  1  0.354420  0.023047  0.351273  1
  Cu  Cu48  1  0.324663  0.325326  0.373532  1
  Cu  Cu49  1  0.689398  0.688440  0.351469  1
  Cu  Cu50  1  0.657962  0.992127  0.373703  1
  Cu  Cu51  1  0.627191  0.294911  0.395837  1
  Cu  Cu52  1  0.991550  0.658292  0.373575  1
  Cu  Cu53  1  0.961197  0.961230  0.396023  1
  Cu  Cu54  1  0.385195  0.719745  0.328761  1
  Cu  Cu55  1  0.825061  0.325167  0.373670  1
  Cu  Cu56  1  0.158076  0.992151  0.373670  1
  Cu  Cu57  1  0.127599  0.294681  0.395731  1
  Cu  Cu58  1  0.491262  0.658349  0.373279  1
  Cu  Cu59  1  0.552559  0.053113  0.329094  1
  Cu  Cu60  1  0.521137  0.356364  0.351184  1
  Cu  Cu61  1  0.886008  0.719662  0.329093  1
  Cu  Cu62  1  0.855835  0.022935  0.351897  1
  Cu  Cu63  1  0.189265  0.688234  0.351182  1
  Cu  Cu64  1  0.991902  0.158993  0.373764  1
  Cu  Cu65  1  0.324562  0.825125  0.373459  1
  Cu  Cu66  1  0.293899  0.128226  0.395773  1
  Cu  Cu67  1  0.658036  0.491651  0.373459  1
  Cu  Cu68  1  0.719636  0.886742  0.329415  1
  Cu  Cu69  1  0.688161  0.189721  0.351531  1
  Cu  Cu70  1  0.961144  0.460982  0.395772  1
  Cu  Cu71  1  0.022622  0.855257  0.351529  1
  Cu  Cu72  1  0.355299  0.522396  0.350785  1
  Cu  Cu73  1  0.702337  0.036125  0.462630  1
  Cu  Cu74  1  0.035781  0.702708  0.462616  1
  Cu  Cu75  1  0.097048  0.097462  0.418197  1
  Cu  Cu76  1  0.460568  0.461457  0.395679  1
  Cu  Cu77  1  0.430198  0.763861  0.417974  1
  Cu  Cu78  1  0.399530  0.066806  0.440344  1
  Cu  Cu79  1  0.763564  0.430660  0.418086  1
  Cu  Cu80  1  0.732966  0.733297  0.440329  1
  Cu  Cu81  1  0.066407  0.400039  0.440346  1
  Cu  Cu82  1  0.930388  0.264124  0.418197  1
  Cu  Cu83  1  0.263586  0.930638  0.418086  1
  Cu  Cu84  1  0.232971  0.233475  0.440346  1
  Cu  Cu85  1  0.596787  0.597272  0.417974  1
  Cu  Cu86  1  0.566231  0.900032  0.440329  1
  Cu  Cu87  1  0.535649  0.202840  0.462616  1
  Cu  Cu88  1  0.899739  0.566597  0.440343  1
  Cu  Cu89  1  0.869066  0.869396  0.462630  1
  Cu  Cu90  1  0.294375  0.627650  0.395678  1
  Cu  Cu91  1  0.732869  0.233558  0.440403  1
  Cu  Cu92  1  0.066490  0.899935  0.440402  1
  Cu  Cu93  1  0.035771  0.202831  0.462673  1
  Cu  Cu94  1  0.399643  0.566711  0.440293  1
  Cu  Cu95  1  0.460475  0.961469  0.395840  1
  Cu  Cu96  1  0.430111  0.264133  0.418074  1
  Cu  Cu97  1  0.794388  0.627556  0.395840  1
  Cu  Cu98  1  0.763589  0.930662  0.418144  1
  Cu  Cu99  1  0.097058  0.597186  0.418073  1
  Cu  Cu100  1  0.899701  0.066767  0.440443  1
  Cu  Cu101  1  0.233125  0.733238  0.440318  1
  Cu  Cu102  1  0.202452  0.036097  0.462642  1
  Cu  Cu103  1  0.566172  0.400193  0.440318  1
  Cu  Cu104  1  0.627420  0.794499  0.395814  1
  Cu  Cu105  1  0.596745  0.097484  0.418129  1
  Cu  Cu106  1  0.869038  0.369512  0.462643  1
  Cu  Cu107  1  0.930409  0.763819  0.418129  1
  Cu  Cu108  1  0.263588  0.430664  0.418069  1
  Cu  Cu109  1  0.610655  0.944293  0.529447  1
  Cu  Cu110  1  0.943863  0.610998  0.529404  1
  Cu  Cu111  1  0.005152  0.005483  0.484906  1
  Cu  Cu112  1  0.369043  0.369487  0.462604  1
  Cu  Cu113  1  0.338498  0.672169  0.484859  1
  Cu  Cu114  1  0.307875  0.974888  0.507140  1
  Cu  Cu115  1  0.671741  0.338900  0.484879  1
  Cu  Cu116  1  0.641201  0.641603  0.507136  1
  Cu  Cu117  1  0.974517  0.308241  0.507151  1
  Cu  Cu118  1  0.838432  0.172203  0.484906  1
  Cu  Cu119  1  0.171848  0.838792  0.484879  1
  Cu  Cu120  1  0.141197  0.141560  0.507151  1
  Cu  Cu121  1  0.505117  0.505550  0.484859  1
  Cu  Cu122  1  0.474558  0.808245  0.507136  1
  Cu  Cu123  1  0.443961  0.110899  0.529404  1
  Cu  Cu124  1  0.807844  0.474920  0.507140  1
  Cu  Cu125  1  0.777256  0.777692  0.529447  1
  Cu  Cu126  1  0.202427  0.536103  0.462604  1
  Cu  Cu127  1  0.641205  0.141521  0.507144  1
  Cu  Cu128  1  0.974477  0.808250  0.507144  1
  Cu  Cu129  1  0.943927  0.110963  0.529423  1
  Cu  Cu130  1  0.307869  0.474914  0.507112  1
  Cu  Cu131  1  0.369089  0.869385  0.462585  1
  Cu  Cu132  1  0.338462  0.172167  0.484872  1
  Cu  Cu133  1  0.702326  0.536148  0.462585  1
  Cu  Cu134  1  0.671773  0.838824  0.484877  1
  Cu  Cu135  1  0.005115  0.505514  0.484872  1
  Cu  Cu136  1  0.807847  0.974891  0.507155  1
  Cu  Cu137  1  0.141151  0.641598  0.507122  1
  Cu  Cu138  1  0.110546  0.944328  0.529410  1
  Cu  Cu139  1  0.474554  0.308196  0.507122  1
  Cu  Cu140  1  0.535696  0.702755  0.462562  1
  Cu  Cu141  1  0.505118  0.005479  0.484874  1
  Cu  Cu142  1  0.777291  0.277582  0.529410  1
  Cu  Cu143  1  0.838428  0.672170  0.484874  1
  Cu  Cu144  1  0.171805  0.338857  0.484869  1
  Cu  Cu145  1  0.518769  0.852793  0.596174  1
  Cu  Cu146  1  0.852337  0.518821  0.596179  1
  Cu  Cu147  1  0.913272  0.913776  0.551702  1
  Cu  Cu148  1  0.277258  0.277576  0.529363  1
  Cu  Cu149  1  0.246554  0.580412  0.551588  1
  Cu  Cu150  1  0.215887  0.883187  0.573920  1
  Cu  Cu151  1  0.580090  0.246852  0.551647  1
  Cu  Cu152  1  0.549524  0.549694  0.573887  1
  Cu  Cu153  1  0.882833  0.216376  0.573967  1
  Cu  Cu154  1  0.746747  0.080301  0.551701  1
  Cu  Cu155  1  0.079823  0.747120  0.551648  1
  Cu  Cu156  1  0.049355  0.049854  0.573967  1
  Cu  Cu157  1  0.413382  0.413583  0.551588  1
  Cu  Cu158  1  0.382672  0.716547  0.573887  1
  Cu  Cu159  1  0.351807  0.019352  0.596180  1
  Cu  Cu160  1  0.716165  0.382908  0.573919  1
  Cu  Cu161  1  0.685777  0.685785  0.596173  1
  Cu  Cu162  1  0.110539  0.444295  0.529363  1
  Cu  Cu163  1  0.549492  0.049742  0.573995  1
  Cu  Cu164  1  0.882720  0.716515  0.573995  1
  Cu  Cu165  1  0.852250  0.019264  0.596307  1
  Cu  Cu166  1  0.215976  0.382997  0.573820  1
  Cu  Cu167  1  0.277228  0.777683  0.529391  1
  Cu  Cu168  1  0.246559  0.080411  0.551667  1
  Cu  Cu169  1  0.610646  0.444265  0.529391  1
  Cu  Cu170  1  0.580077  0.747108  0.551687  1
  Cu  Cu171  1  0.913382  0.413588  0.551667  1
  Cu  Cu172  1  0.716209  0.883232  0.574075  1
  Cu  Cu173  1  0.049298  0.549683  0.573886  1
  Cu  Cu174  1  0.018502  0.852716  0.596227  1
  Cu  Cu175  1  0.382661  0.216320  0.573886  1
  Cu  Cu176  1  0.443964  0.611001  0.529389  1
  Cu  Cu177  1  0.413289  0.913783  0.551668  1
  Cu  Cu178  1  0.685701  0.185515  0.596226  1
  Cu  Cu179  1  0.746753  0.580319  0.551668  1
  Cu  Cu180  1  0.079973  0.247001  0.551667  1
  Cu  Cu181  1  0.427249  0.760577  0.662873  1
  Cu  Cu182  1  0.759976  0.427002  0.662977  1
  Cu  Cu183  1  0.821839  0.822150  0.618730  1
  Cu  Cu184  1  0.185245  0.186000  0.596250  1
  Cu  Cu185  1  0.154829  0.488189  0.618318  1
  Cu  Cu186  1  0.123450  0.791599  0.640585  1
  Cu  Cu187  1  0.488039  0.155079  0.618469  1
  Cu  Cu188  1  0.457415  0.457840  0.640277  1
  Cu  Cu189  1  0.791661  0.124289  0.640929  1
  Cu  Cu190  1  0.655141  0.988848  0.618730  1
  Cu  Cu191  1  0.988072  0.655047  0.618469  1
  Cu  Cu192  1  0.957292  0.958660  0.640931  1
  Cu  Cu193  1  0.321183  0.321835  0.618318  1
  Cu  Cu194  1  0.290843  0.624412  0.640277  1
  Cu  Cu195  1  0.260010  0.926969  0.662978  1
  Cu  Cu196  1  0.624599  0.290447  0.640583  1
  Cu  Cu197  1  0.593585  0.594242  0.662873  1
  Cu  Cu198  1  0.018986  0.352258  0.596250  1
  Cu  Cu199  1  0.456925  0.958470  0.640623  1
  Cu  Cu200  1  0.791469  0.623925  0.640622  1
  Cu  Cu201  1  0.761366  0.928362  0.663545  1
  Cu  Cu202  1  0.124604  0.291605  0.641134  1
  Cu  Cu203  1  0.185109  0.685912  0.596078  1
  Cu  Cu204  1  0.154687  0.988608  0.618492  1
  Cu  Cu205  1  0.518897  0.352122  0.596077  1
  Cu  Cu206  1  0.488331  0.655338  0.618328  1
  Cu  Cu207  1  0.821602  0.321692  0.618491  1
  Cu  Cu208  1  0.624525  0.791524  0.640463  1
  Cu  Cu209  1  0.958245  0.457103  0.640740  1
  Cu  Cu210  1  0.927535  0.760574  0.663248  1
  Cu  Cu211  1  0.290105  0.125244  0.640742  1
  Cu  Cu212  1  0.352054  0.519068  0.595963  1
  Cu  Cu213  1  0.321311  0.821984  0.618412  1
  Cu  Cu214  1  0.593579  0.094528  0.663248  1
  Cu  Cu215  1  0.654976  0.488318  0.618411  1
  Cu  Cu216  1  0.988455  0.155461  0.618558  1
  Cu  Cu217  1  0.334118  0.668496  0.727968  1
  Cu  Cu218  1  0.667130  0.333112  0.727052  1
  Cu  Cu219  1  0.730457  0.730916  0.684233  1
  Cu  Cu220  1  0.094399  0.094434  0.662870  1
  Cu  Cu221  1  0.063815  0.397094  0.686118  1
  Cu  Cu222  1  0.033011  0.694823  0.707599  1
  Cu  Cu223  1  0.394517  0.064364  0.684745  1
  Cu  Cu224  1  0.364305  0.365388  0.707845  1
  Cu  Cu225  1  0.700243  0.036737  0.708321  1
  Cu  Cu226  1  0.563937  0.897437  0.684233  1
  Cu  Cu227  1  0.897373  0.561498  0.684741  1
  Cu  Cu228  1  0.869753  0.867221  0.708320  1
  Cu  Cu229  1  0.230101  0.230810  0.686118  1
  Cu  Cu230  1  0.198418  0.531275  0.707845  1
  Cu  Cu231  1  0.166163  0.834075  0.727052  1
  Cu  Cu232  1  0.527858  0.199992  0.707599  1
  Cu  Cu233  1  0.501547  0.501068  0.727968  1
  Cu  Cu234  1  0.927444  0.261391  0.662869  1
  Cu  Cu235  1  0.366354  0.864605  0.707227  1
  Cu  Cu236  1  0.697624  0.533335  0.707227  1
  Cu  Cu237  1  0.667312  0.834262  0.727846  1
  Cu  Cu238  1  0.030787  0.197758  0.707100  1
  Cu  Cu239  1  0.094117  0.593424  0.662662  1
  Cu  Cu240  1  0.062688  0.898016  0.684941  1
  Cu  Cu241  1  0.426434  0.261109  0.662663  1
  Cu  Cu242  1  0.395884  0.562859  0.684370  1
  Cu  Cu243  1  0.731031  0.229671  0.684937  1
  Cu  Cu244  1  0.533123  0.700106  0.707551  1
  Cu  Cu245  1  0.866026  0.367474  0.707775  1
  Cu  Cu246  1  0.833360  0.666130  0.727243  1
  Cu  Cu247  1  0.200502  0.033008  0.707775  1
  Cu  Cu248  1  0.260524  0.427516  0.662789  1
  Cu  Cu249  1  0.229458  0.728624  0.684106  1
  Cu  Cu250  1  0.499183  1.000310  0.727244  1
  Cu  Cu251  1  0.561650  0.396436  0.684105  1
  Cu  Cu252  1  0.897609  0.064600  0.686200  1
