# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.44202486
_cell_length_b   13.47696087
_cell_length_c   46.81520624
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.09773499
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu324
_cell_volume   8459.25183996
_cell_formula_units_Z   324
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  0.258075  0.805726  0.319784  1
  Cu  Cu2  1  0.238336  0.518820  0.286674  1
  Cu  Cu3  1  0.416187  0.495146  0.302250  1
  Cu  Cu4  1  0.591408  0.472393  0.319784  1
  Cu  Cu5  1  0.249520  0.161813  0.302250  1
  Cu  Cu6  1  0.424741  0.139059  0.319784  1
  Cu  Cu7  1  0.405002  0.852153  0.286674  1
  Cu  Cu8  1  0.582853  0.828479  0.302250  1
  Cu  Cu9  1  0.758075  0.805726  0.319784  1
  Cu  Cu10  1  0.738336  0.518820  0.286674  1
  Cu  Cu11  1  0.916187  0.495146  0.302250  1
  Cu  Cu12  1  0.091408  0.472393  0.319784  1
  Cu  Cu13  1  0.571669  0.185487  0.286674  1
  Cu  Cu14  1  0.749520  0.161813  0.302250  1
  Cu  Cu15  1  0.924741  0.139059  0.319784  1
  Cu  Cu16  1  0.905002  0.852153  0.286674  1
  Cu  Cu17  1  0.082853  0.828479  0.302250  1
  Cu  Cu18  1  0.071669  0.185487  0.286674  1
  Cu  Cu19  1  0.286124  0.701333  0.277134  1
  Cu  Cu20  1  0.295126  0.342858  0.292203  1
  Cu  Cu21  1  0.470838  0.319387  0.308491  1
  Cu  Cu22  1  0.619457  0.368000  0.277134  1
  Cu  Cu23  1  0.304172  0.986054  0.308491  1
  Cu  Cu24  1  0.452790  0.034666  0.277134  1
  Cu  Cu25  1  0.461792  0.676191  0.292203  1
  Cu  Cu26  1  0.637505  0.652721  0.308491  1
  Cu  Cu27  1  0.786124  0.701333  0.277134  1
  Cu  Cu28  1  0.795126  0.342858  0.292203  1
  Cu  Cu29  1  0.970838  0.319387  0.308491  1
  Cu  Cu30  1  0.119457  0.368000  0.277134  1
  Cu  Cu31  1  0.628459  0.009525  0.292203  1
  Cu  Cu32  1  0.804172  0.986054  0.308491  1
  Cu  Cu33  1  0.952790  0.034666  0.277134  1
  Cu  Cu34  1  0.961792  0.676191  0.292203  1
  Cu  Cu35  1  0.137505  0.652721  0.308491  1
  Cu  Cu36  1  0.128459  0.009525  0.292203  1
  Cu  Cu37  1  0.288695  0.736106  0.369680  1
  Cu  Cu38  1  0.268803  0.448749  0.336058  1
  Cu  Cu39  1  0.444887  0.425526  0.352709  1
  Cu  Cu40  1  0.622029  0.402773  0.369680  1
  Cu  Cu41  1  0.278220  0.092193  0.352709  1
  Cu  Cu42  1  0.455362  0.069439  0.369680  1
  Cu  Cu43  1  0.435470  0.782083  0.336058  1
  Cu  Cu44  1  0.611553  0.758859  0.352709  1
  Cu  Cu45  1  0.788695  0.736106  0.369680  1
  Cu  Cu46  1  0.768803  0.448749  0.336058  1
  Cu  Cu47  1  0.944887  0.425526  0.352709  1
  Cu  Cu48  1  0.122029  0.402773  0.369680  1
  Cu  Cu49  1  0.602136  0.115416  0.336058  1
  Cu  Cu50  1  0.778220  0.092193  0.352709  1
  Cu  Cu51  1  0.955362  0.069439  0.369680  1
  Cu  Cu52  1  0.935470  0.782083  0.336058  1
  Cu  Cu53  1  0.111553  0.758859  0.352709  1
  Cu  Cu54  1  0.102136  0.115416  0.336058  1
  Cu  Cu55  1  0.315844  0.630318  0.325738  1
  Cu  Cu56  1  0.325431  0.273927  0.342204  1
  Cu  Cu57  1  0.502905  0.251187  0.358704  1
  Cu  Cu58  1  0.649177  0.296985  0.325738  1
  Cu  Cu59  1  0.336238  0.917853  0.358704  1
  Cu  Cu60  1  0.482511  0.963651  0.325738  1
  Cu  Cu61  1  0.492098  0.607261  0.342204  1
  Cu  Cu62  1  0.669571  0.584520  0.358704  1
  Cu  Cu63  1  0.815844  0.630318  0.325738  1
  Cu  Cu64  1  0.825431  0.273927  0.342204  1
  Cu  Cu65  1  1.002905  0.251187  0.358704  1
  Cu  Cu66  1  0.149177  0.296985  0.325738  1
  Cu  Cu67  1  0.658764  0.940594  0.342204  1
  Cu  Cu68  1  0.836238  0.917853  0.358704  1
  Cu  Cu69  1  0.982511  0.963651  0.325738  1
  Cu  Cu70  1  0.992098  0.607261  0.342204  1
  Cu  Cu71  1  0.169571  0.584520  0.358704  1
  Cu  Cu72  1  0.158764  0.940594  0.342204  1
  Cu  Cu73  1  0.319101  0.666635  0.419728  1
  Cu  Cu74  1  0.298672  0.379446  0.386319  1
  Cu  Cu75  1  0.475500  0.356393  0.402957  1
  Cu  Cu76  1  0.652434  0.333302  0.419728  1
  Cu  Cu77  1  0.308834  0.023059  0.402957  1
  Cu  Cu78  1  0.485767  0.999969  0.419728  1
  Cu  Cu79  1  0.465339  0.712780  0.386319  1
  Cu  Cu80  1  0.642167  0.689726  0.402957  1
  Cu  Cu81  1  0.819101  0.666635  0.419728  1
  Cu  Cu82  1  0.798672  0.379446  0.386319  1
  Cu  Cu83  1  0.975500  0.356393  0.402957  1
  Cu  Cu84  1  0.152434  0.333302  0.419728  1
  Cu  Cu85  1  0.632005  0.046113  0.386319  1
  Cu  Cu86  1  0.808834  0.023059  0.402957  1
  Cu  Cu87  1  0.985767  0.999969  0.419728  1
  Cu  Cu88  1  0.965339  0.712780  0.386319  1
  Cu  Cu89  1  0.142167  0.689726  0.402957  1
  Cu  Cu90  1  0.132005  0.046113  0.386319  1
  Cu  Cu91  1  0.346293  0.560949  0.375538  1
  Cu  Cu92  1  0.356617  0.204671  0.392069  1
  Cu  Cu93  1  0.533497  0.181808  0.408800  1
  Cu  Cu94  1  0.679626  0.227615  0.375538  1
  Cu  Cu95  1  0.366830  0.848475  0.408800  1
  Cu  Cu96  1  0.512959  0.894282  0.375538  1
  Cu  Cu97  1  0.523284  0.538004  0.392069  1
  Cu  Cu98  1  0.700164  0.515141  0.408800  1
  Cu  Cu99  1  0.846293  0.560949  0.375538  1
  Cu  Cu100  1  0.856617  0.204671  0.392069  1
  Cu  Cu101  1  0.033497  0.181808  0.408800  1
  Cu  Cu102  1  0.179626  0.227615  0.375538  1
  Cu  Cu103  1  0.689951  0.871337  0.392069  1
  Cu  Cu104  1  0.866830  0.848475  0.408800  1
  Cu  Cu105  1  0.012959  0.894282  0.375538  1
  Cu  Cu106  1  0.023284  0.538004  0.392069  1
  Cu  Cu107  1  0.200164  0.515141  0.408800  1
  Cu  Cu108  1  0.189951  0.871337  0.392069  1
  Cu  Cu109  1  0.349843  0.597348  0.469769  1
  Cu  Cu110  1  0.329358  0.310135  0.436376  1
  Cu  Cu111  1  0.506229  0.287110  0.453076  1
  Cu  Cu112  1  0.683177  0.264014  0.469769  1
  Cu  Cu113  1  0.339563  0.953777  0.453076  1
  Cu  Cu114  1  0.516510  0.930681  0.469769  1
  Cu  Cu115  1  0.496025  0.643469  0.436376  1
  Cu  Cu116  1  0.672896  0.620443  0.453076  1
  Cu  Cu117  1  0.849843  0.597348  0.469769  1
  Cu  Cu118  1  0.829358  0.310135  0.436376  1
  Cu  Cu119  1  0.006229  0.287110  0.453076  1
  Cu  Cu120  1  0.183177  0.264014  0.469769  1
  Cu  Cu121  1  0.662692  0.976802  0.436376  1
  Cu  Cu122  1  0.839563  0.953777  0.453076  1
  Cu  Cu123  1  0.016510  0.930681  0.469769  1
  Cu  Cu124  1  0.996025  0.643469  0.436376  1
  Cu  Cu125  1  0.172896  0.620443  0.453076  1
  Cu  Cu126  1  0.162692  0.976802  0.436376  1
  Cu  Cu127  1  0.377126  0.491926  0.425487  1
  Cu  Cu128  1  0.387344  0.135540  0.442125  1
  Cu  Cu129  1  0.564286  0.112493  0.458821  1
  Cu  Cu130  1  0.710459  0.158592  0.425487  1
  Cu  Cu131  1  0.397619  0.779160  0.458821  1
  Cu  Cu132  1  0.543793  0.825259  0.425487  1
  Cu  Cu133  1  0.554011  0.468873  0.442125  1
  Cu  Cu134  1  0.730952  0.445826  0.458821  1
  Cu  Cu135  1  0.877126  0.491926  0.425487  1
  Cu  Cu136  1  0.887344  0.135540  0.442125  1
  Cu  Cu137  1  0.064286  0.112493  0.458821  1
  Cu  Cu138  1  0.210459  0.158592  0.425487  1
  Cu  Cu139  1  0.720678  0.802206  0.442125  1
  Cu  Cu140  1  0.897619  0.779160  0.458821  1
  Cu  Cu141  1  0.043793  0.825259  0.425487  1
  Cu  Cu142  1  0.054011  0.468873  0.442125  1
  Cu  Cu143  1  0.230952  0.445826  0.458821  1
  Cu  Cu144  1  0.220678  0.802206  0.442125  1
  Cu  Cu145  1  0.380616  0.528105  0.519806  1
  Cu  Cu146  1  0.360089  0.240904  0.486440  1
  Cu  Cu147  1  0.537014  0.217837  0.503132  1
  Cu  Cu148  1  0.713949  0.194772  0.519806  1
  Cu  Cu149  1  0.370348  0.884503  0.503132  1
  Cu  Cu150  1  0.547283  0.861439  0.519806  1
  Cu  Cu151  1  0.526755  0.574238  0.486440  1
  Cu  Cu152  1  0.703681  0.551170  0.503132  1
  Cu  Cu153  1  0.880616  0.528105  0.519806  1
  Cu  Cu154  1  0.860089  0.240904  0.486440  1
  Cu  Cu155  1  0.037014  0.217837  0.503132  1
  Cu  Cu156  1  0.213949  0.194772  0.519806  1
  Cu  Cu157  1  0.693422  0.907571  0.486440  1
  Cu  Cu158  1  0.870348  0.884503  0.503132  1
  Cu  Cu159  1  0.047283  0.861439  0.519806  1
  Cu  Cu160  1  0.026755  0.574238  0.486440  1
  Cu  Cu161  1  0.203681  0.551170  0.503132  1
  Cu  Cu162  1  0.193422  0.907571  0.486440  1
  Cu  Cu163  1  0.407861  0.422718  0.475500  1
  Cu  Cu164  1  0.418129  0.066319  0.492174  1
  Cu  Cu165  1  0.595055  0.043252  0.508866  1
  Cu  Cu166  1  0.741194  0.089384  0.475500  1
  Cu  Cu167  1  0.428388  0.709919  0.508866  1
  Cu  Cu168  1  0.574528  0.756051  0.475500  1
  Cu  Cu169  1  0.584796  0.399653  0.492174  1
  Cu  Cu170  1  0.761722  0.376585  0.508866  1
  Cu  Cu171  1  0.907861  0.422718  0.475500  1
  Cu  Cu172  1  0.918129  0.066319  0.492174  1
  Cu  Cu173  1  0.095055  0.043252  0.508866  1
  Cu  Cu174  1  0.241194  0.089384  0.475500  1
  Cu  Cu175  1  0.751462  0.732986  0.492174  1
  Cu  Cu176  1  0.928388  0.709919  0.508866  1
  Cu  Cu177  1  0.074528  0.756051  0.475500  1
  Cu  Cu178  1  0.084796  0.399653  0.492174  1
  Cu  Cu179  1  0.261722  0.376585  0.508866  1
  Cu  Cu180  1  0.251462  0.732986  0.492174  1
  Cu  Cu181  1  0.411351  0.458897  0.569819  1
  Cu  Cu182  1  0.390858  0.171663  0.536485  1
  Cu  Cu183  1  0.567799  0.148617  0.553180  1
  Cu  Cu184  1  0.744684  0.125564  0.569819  1
  Cu  Cu185  1  0.401133  0.815283  0.553180  1
  Cu  Cu186  1  0.578018  0.792231  0.569819  1
  Cu  Cu187  1  0.557525  0.504997  0.536485  1
  Cu  Cu188  1  0.734466  0.481950  0.553180  1
  Cu  Cu189  1  0.911351  0.458897  0.569819  1
  Cu  Cu190  1  0.890858  0.171663  0.536485  1
  Cu  Cu191  1  0.067799  0.148617  0.553180  1
  Cu  Cu192  1  0.244684  0.125564  0.569819  1
  Cu  Cu193  1  0.724191  0.838330  0.536485  1
  Cu  Cu194  1  0.901133  0.815283  0.553180  1
  Cu  Cu195  1  0.078018  0.792231  0.569819  1
  Cu  Cu196  1  0.057525  0.504997  0.536485  1
  Cu  Cu197  1  0.234466  0.481950  0.553180  1
  Cu  Cu198  1  0.224191  0.838330  0.536485  1
  Cu  Cu199  1  0.438634  0.353475  0.525537  1
  Cu  Cu200  1  0.448914  0.997046  0.542230  1
  Cu  Cu201  1  0.625785  0.974021  0.558930  1
  Cu  Cu202  1  0.771967  0.020142  0.525537  1
  Cu  Cu203  1  0.459119  0.640688  0.558930  1
  Cu  Cu204  1  0.605300  0.686809  0.525537  1
  Cu  Cu205  1  0.615581  0.330380  0.542230  1
  Cu  Cu206  1  0.792452  0.307354  0.558930  1
  Cu  Cu207  1  0.938634  0.353475  0.525537  1
  Cu  Cu208  1  0.948914  0.997046  0.542230  1
  Cu  Cu209  1  0.125785  0.974021  0.558930  1
  Cu  Cu210  1  0.271967  0.020142  0.525537  1
  Cu  Cu211  1  0.782248  0.663713  0.542230  1
  Cu  Cu212  1  0.959119  0.640688  0.558930  1
  Cu  Cu213  1  0.105300  0.686809  0.525537  1
  Cu  Cu214  1  0.115581  0.330380  0.542230  1
  Cu  Cu215  1  0.292452  0.307354  0.558930  1
  Cu  Cu216  1  0.282248  0.663713  0.542230  1
  Cu  Cu217  1  0.442184  0.389874  0.619767  1
  Cu  Cu218  1  0.421647  0.102348  0.586505  1
  Cu  Cu219  1  0.598526  0.079486  0.603237  1
  Cu  Cu220  1  0.775518  0.056541  0.619767  1
  Cu  Cu221  1  0.431860  0.746152  0.603237  1
  Cu  Cu222  1  0.608851  0.723207  0.619767  1
  Cu  Cu223  1  0.588313  0.435682  0.586505  1
  Cu  Cu224  1  0.765193  0.412819  0.603237  1
  Cu  Cu225  1  0.942184  0.389874  0.619767  1
  Cu  Cu226  1  0.921647  0.102348  0.586505  1
  Cu  Cu227  1  0.098526  0.079486  0.603237  1
  Cu  Cu228  1  0.275518  0.056541  0.619767  1
  Cu  Cu229  1  0.754980  0.769015  0.586505  1
  Cu  Cu230  1  0.931860  0.746152  0.603237  1
  Cu  Cu231  1  0.108851  0.723207  0.619767  1
  Cu  Cu232  1  0.088313  0.435682  0.586505  1
  Cu  Cu233  1  0.265193  0.412819  0.603237  1
  Cu  Cu234  1  0.254980  0.769015  0.586505  1
  Cu  Cu235  1  0.469376  0.284188  0.575578  1
  Cu  Cu236  1  0.479643  0.927764  0.592349  1
  Cu  Cu237  1  0.656472  0.904710  0.608987  1
  Cu  Cu238  1  0.802710  0.950854  0.575578  1
  Cu  Cu239  1  0.489805  0.571377  0.608987  1
  Cu  Cu240  1  0.636043  0.617521  0.575578  1
  Cu  Cu241  1  0.646310  0.261097  0.592349  1
  Cu  Cu242  1  0.823138  0.238043  0.608987  1
  Cu  Cu243  1  0.969376  0.284188  0.575578  1
  Cu  Cu244  1  0.979643  0.927764  0.592349  1
  Cu  Cu245  1  0.156472  0.904710  0.608987  1
  Cu  Cu246  1  0.302710  0.950854  0.575578  1
  Cu  Cu247  1  0.812977  0.594430  0.592349  1
  Cu  Cu248  1  0.989805  0.571377  0.608987  1
  Cu  Cu249  1  0.136043  0.617521  0.575578  1
  Cu  Cu250  1  0.146310  0.261097  0.592349  1
  Cu  Cu251  1  0.323138  0.238043  0.608987  1
  Cu  Cu252  1  0.312977  0.594430  0.592349  1
  Cu  Cu253  1  0.472633  0.320505  0.669568  1
  Cu  Cu254  1  0.452239  0.032969  0.636602  1
  Cu  Cu255  1  0.629713  0.010229  0.653102  1
  Cu  Cu256  1  0.805966  0.987172  0.669568  1
  Cu  Cu257  1  0.463046  0.676896  0.653102  1
  Cu  Cu258  1  0.639300  0.653838  0.669568  1
  Cu  Cu259  1  0.618906  0.366303  0.636602  1
  Cu  Cu260  1  0.796379  0.343562  0.653102  1
  Cu  Cu261  1  0.972633  0.320505  0.669568  1
  Cu  Cu262  1  0.952239  0.032969  0.636602  1
  Cu  Cu263  1  0.129713  0.010229  0.653102  1
  Cu  Cu264  1  0.305966  0.987172  0.669568  1
  Cu  Cu265  1  0.785572  0.699636  0.636602  1
  Cu  Cu266  1  0.963046  0.676896  0.653102  1
  Cu  Cu267  1  0.139300  0.653838  0.669568  1
  Cu  Cu268  1  0.118906  0.366303  0.636602  1
  Cu  Cu269  1  0.296379  0.343562  0.653102  1
  Cu  Cu270  1  0.285572  0.699636  0.636602  1
  Cu  Cu271  1  0.499782  0.214717  0.625626  1
  Cu  Cu272  1  0.510257  0.858630  0.642597  1
  Cu  Cu273  1  0.686341  0.835407  0.659247  1
  Cu  Cu274  1  0.833115  0.881383  0.625626  1
  Cu  Cu275  1  0.519674  0.502074  0.659247  1
  Cu  Cu276  1  0.666448  0.548050  0.625626  1
  Cu  Cu277  1  0.676924  0.191964  0.642597  1
  Cu  Cu278  1  0.853007  0.168740  0.659247  1
  Cu  Cu279  1  0.999782  0.214717  0.625626  1
  Cu  Cu280  1  0.010257  0.858630  0.642597  1
  Cu  Cu281  1  0.186341  0.835407  0.659247  1
  Cu  Cu282  1  0.333115  0.881383  0.625626  1
  Cu  Cu283  1  0.843590  0.525297  0.642597  1
  Cu  Cu284  1  0.019674  0.502074  0.659247  1
  Cu  Cu285  1  0.166448  0.548050  0.625626  1
  Cu  Cu286  1  0.176924  0.191964  0.642597  1
  Cu  Cu287  1  0.353007  0.168740  0.659247  1
  Cu  Cu288  1  0.343590  0.525297  0.642597  1
  Cu  Cu289  1  0.502353  0.249490  0.718172  1
  Cu  Cu290  1  0.484305  0.964769  0.686815  1
  Cu  Cu291  1  0.660018  0.941298  0.703103  1
  Cu  Cu292  1  0.835687  0.916156  0.718172  1
  Cu  Cu293  1  0.493351  0.607965  0.703103  1
  Cu  Cu294  1  0.669020  0.582823  0.718172  1
  Cu  Cu295  1  0.650972  0.298102  0.686815  1
  Cu  Cu296  1  0.826685  0.274632  0.703103  1
  Cu  Cu297  1  1.002353  0.249490  0.718172  1
  Cu  Cu298  1  0.984305  0.964769  0.686815  1
  Cu  Cu299  1  0.160018  0.941298  0.703103  1
  Cu  Cu300  1  0.335687  0.916156  0.718172  1
  Cu  Cu301  1  0.817639  0.631436  0.686815  1
  Cu  Cu302  1  0.993351  0.607965  0.703103  1
  Cu  Cu303  1  0.169020  0.582823  0.718172  1
  Cu  Cu304  1  0.150972  0.298102  0.686815  1
  Cu  Cu305  1  0.326685  0.274632  0.703103  1
  Cu  Cu306  1  0.317639  0.631436  0.686815  1
  Cu  Cu307  1  0.530402  0.145097  0.675521  1
  Cu  Cu308  1  0.538957  0.789010  0.693056  1
  Cu  Cu309  1  0.716808  0.765336  0.708632  1
  Cu  Cu310  1  0.863736  0.811764  0.675521  1
  Cu  Cu311  1  0.550141  0.432003  0.708632  1
  Cu  Cu312  1  0.697069  0.478430  0.675521  1
  Cu  Cu313  1  0.705624  0.122344  0.693056  1
  Cu  Cu314  1  0.883475  0.098670  0.708632  1
  Cu  Cu315  1  0.030402  0.145097  0.675521  1
  Cu  Cu316  1  0.038957  0.789010  0.693056  1
  Cu  Cu317  1  0.216808  0.765336  0.708632  1
  Cu  Cu318  1  0.363736  0.811764  0.675521  1
  Cu  Cu319  1  0.872290  0.455677  0.693056  1
  Cu  Cu320  1  0.050141  0.432003  0.708632  1
  Cu  Cu321  1  0.197069  0.478430  0.675521  1
  Cu  Cu322  1  0.205624  0.122344  0.693056  1
  Cu  Cu323  1  0.383475  0.098670  0.708632  1
  Cu  Cu324  1  0.372290  0.455677  0.693056  1
