# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.14188892
_cell_length_b   17.53011210
_cell_length_c   46.75654989
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.43001982
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu336
_cell_volume   8877.48201079
_cell_formula_units_Z   336
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  0.005101  0.601861  0.300974  1
  Cu  Cu2  1  0.398159  0.606133  0.290845  1
  Cu  Cu3  1  0.791144  0.611159  0.281346  1
  Cu  Cu4  1  0.005499  0.101733  0.300932  1
  Cu  Cu5  1  0.398275  0.106472  0.290866  1
  Cu  Cu6  1  0.791895  0.111006  0.281276  1
  Cu  Cu7  1  0.222725  0.725976  0.301804  1
  Cu  Cu8  1  0.616304  0.731549  0.291483  1
  Cu  Cu9  1  0.010018  0.736341  0.282236  1
  Cu  Cu10  1  0.223088  0.226299  0.301930  1
  Cu  Cu11  1  0.617276  0.230761  0.291767  1
  Cu  Cu12  1  0.010614  0.236272  0.282258  1
  Cu  Cu13  1  0.094392  0.358918  0.285976  1
  Cu  Cu14  1  0.308532  0.348933  0.306036  1
  Cu  Cu15  1  0.701848  0.354356  0.295889  1
  Cu  Cu16  1  0.094153  0.858870  0.285857  1
  Cu  Cu17  1  0.488414  0.864504  0.276206  1
  Cu  Cu18  1  0.702182  0.854011  0.295784  1
  Cu  Cu19  1  0.179340  0.481939  0.290216  1
  Cu  Cu20  1  0.573133  0.487998  0.280775  1
  Cu  Cu21  1  0.787977  0.476802  0.300173  1
  Cu  Cu22  1  0.180836  0.981412  0.289960  1
  Cu  Cu23  1  0.572607  0.987042  0.280062  1
  Cu  Cu24  1  0.787851  0.976683  0.300013  1
  Cu  Cu25  1  0.826652  0.585742  0.333006  1
  Cu  Cu26  1  0.218149  0.591691  0.321268  1
  Cu  Cu27  1  0.612270  0.596644  0.311353  1
  Cu  Cu28  1  0.826318  0.085916  0.332876  1
  Cu  Cu29  1  0.217879  0.091931  0.321290  1
  Cu  Cu30  1  0.612213  0.096178  0.311220  1
  Cu  Cu31  1  0.043632  0.710577  0.333866  1
  Cu  Cu32  1  0.435965  0.716506  0.322143  1
  Cu  Cu33  1  0.829344  0.720822  0.312207  1
  Cu  Cu34  1  0.043658  0.210628  0.333860  1
  Cu  Cu35  1  0.436066  0.215877  0.322492  1
  Cu  Cu36  1  0.829573  0.220917  0.312145  1
  Cu  Cu37  1  0.915220  0.343991  0.316618  1
  Cu  Cu38  1  0.129912  0.333320  0.337737  1
  Cu  Cu39  1  0.522748  0.339125  0.326553  1
  Cu  Cu40  1  0.915184  0.844017  0.316600  1
  Cu  Cu41  1  0.308403  0.848687  0.305914  1
  Cu  Cu42  1  0.523374  0.838557  0.327565  1
  Cu  Cu43  1  1.001048  0.467537  0.320503  1
  Cu  Cu44  1  0.394568  0.471411  0.310377  1
  Cu  Cu45  1  0.609865  0.461271  0.332051  1
  Cu  Cu46  1  1.001105  0.967640  0.320384  1
  Cu  Cu47  1  0.394218  0.971872  0.310469  1
  Cu  Cu48  1  0.609466  0.960860  0.331681  1
  Cu  Cu49  1  0.648528  0.569624  0.364939  1
  Cu  Cu50  1  0.041810  0.574886  0.353892  1
  Cu  Cu51  1  0.433894  0.580318  0.342903  1
  Cu  Cu52  1  0.648247  0.069599  0.364815  1
  Cu  Cu53  1  0.041352  0.075001  0.353895  1
  Cu  Cu54  1  0.433749  0.080392  0.343085  1
  Cu  Cu55  1  0.865211  0.694112  0.365919  1
  Cu  Cu56  1  0.258431  0.699251  0.354733  1
  Cu  Cu57  1  0.650898  0.704677  0.344092  1
  Cu  Cu58  1  0.864851  0.194253  0.365829  1
  Cu  Cu59  1  0.258336  0.199415  0.354807  1
  Cu  Cu60  1  0.650382  0.204980  0.344009  1
  Cu  Cu61  1  0.737089  0.327572  0.348565  1
  Cu  Cu62  1  0.951648  0.317138  0.370320  1
  Cu  Cu63  1  0.344885  0.322334  0.359059  1
  Cu  Cu64  1  0.737829  0.827499  0.348723  1
  Cu  Cu65  1  0.129748  0.833250  0.337686  1
  Cu  Cu66  1  0.344255  0.822328  0.359273  1
  Cu  Cu67  1  0.824680  0.450224  0.353133  1
  Cu  Cu68  1  0.216872  0.455720  0.342096  1
  Cu  Cu69  1  0.431729  0.444848  0.363724  1
  Cu  Cu70  1  0.824532  0.950401  0.353033  1
  Cu  Cu71  1  0.216411  0.955828  0.342177  1
  Cu  Cu72  1  0.431408  0.945140  0.364015  1
  Cu  Cu73  1  0.469846  0.553740  0.396973  1
  Cu  Cu74  1  0.863128  0.558979  0.386521  1
  Cu  Cu75  1  0.255731  0.564369  0.375277  1
  Cu  Cu76  1  0.469778  0.053816  0.397098  1
  Cu  Cu77  1  0.862802  0.059040  0.386449  1
  Cu  Cu78  1  0.255350  0.064486  0.375332  1
  Cu  Cu79  1  0.686251  0.678202  0.398142  1
  Cu  Cu80  1  0.079472  0.683423  0.387463  1
  Cu  Cu81  1  0.471847  0.688928  0.376292  1
  Cu  Cu82  1  0.685981  0.178310  0.398051  1
  Cu  Cu83  1  0.079266  0.183514  0.387439  1
  Cu  Cu84  1  0.471805  0.188878  0.376402  1
  Cu  Cu85  1  0.558898  0.311745  0.380724  1
  Cu  Cu86  1  0.773402  0.301080  0.402586  1
  Cu  Cu87  1  0.166453  0.306379  0.391616  1
  Cu  Cu88  1  0.559132  0.811589  0.381065  1
  Cu  Cu89  1  0.951736  0.817138  0.370329  1
  Cu  Cu90  1  0.166303  0.806334  0.391617  1
  Cu  Cu91  1  0.646528  0.434369  0.385551  1
  Cu  Cu92  1  0.039024  0.439968  0.374468  1
  Cu  Cu93  1  0.253747  0.429226  0.395998  1
  Cu  Cu94  1  0.646414  0.934411  0.385481  1
  Cu  Cu95  1  0.038879  0.939974  0.374438  1
  Cu  Cu96  1  0.253423  0.929269  0.396134  1
  Cu  Cu97  1  0.291648  0.537791  0.429439  1
  Cu  Cu98  1  0.684391  0.543066  0.418837  1
  Cu  Cu99  1  0.077439  0.548399  0.407929  1
  Cu  Cu100  1  0.291515  0.037799  0.429475  1
  Cu  Cu101  1  0.684284  0.043117  0.418788  1
  Cu  Cu102  1  0.077137  0.048439  0.407916  1
  Cu  Cu103  1  0.507644  0.662276  0.430461  1
  Cu  Cu104  1  0.900736  0.667579  0.419888  1
  Cu  Cu105  1  0.293480  0.672885  0.408868  1
  Cu  Cu106  1  0.507589  0.162313  0.430498  1
  Cu  Cu107  1  0.900472  0.167645  0.419803  1
  Cu  Cu108  1  0.293353  0.172910  0.408900  1
  Cu  Cu109  1  0.380787  0.295790  0.413178  1
  Cu  Cu110  1  0.595139  0.285129  0.434873  1
  Cu  Cu111  1  0.988123  0.290398  0.424206  1
  Cu  Cu112  1  0.380699  0.795753  0.413276  1
  Cu  Cu113  1  0.773622  0.801020  0.402690  1
  Cu  Cu114  1  0.988167  0.790371  0.424220  1
  Cu  Cu115  1  0.468248  0.418538  0.417714  1
  Cu  Cu116  1  0.861080  0.423919  0.407066  1
  Cu  Cu117  1  0.075635  0.413255  0.428493  1
  Cu  Cu118  1  0.468171  0.918561  0.417861  1
  Cu  Cu119  1  0.860964  0.923943  0.407011  1
  Cu  Cu120  1  0.075478  0.913245  0.428511  1
  Cu  Cu121  1  0.113429  0.521748  0.461981  1
  Cu  Cu122  1  0.505967  0.527122  0.451084  1
  Cu  Cu123  1  0.899034  0.532413  0.440448  1
  Cu  Cu124  1  0.113311  0.021755  0.461962  1
  Cu  Cu125  1  0.505976  0.027151  0.451144  1
  Cu  Cu126  1  0.898856  0.032435  0.440404  1
  Cu  Cu127  1  0.329379  0.646262  0.462968  1
  Cu  Cu128  1  0.722144  0.651618  0.452174  1
  Cu  Cu129  1  0.115149  0.656868  0.441443  1
  Cu  Cu130  1  0.329326  0.146274  0.462965  1
  Cu  Cu131  1  0.722026  0.151662  0.452125  1
  Cu  Cu132  1  0.114987  0.156905  0.441403  1
  Cu  Cu133  1  0.202564  0.279758  0.445701  1
  Cu  Cu134  1  0.416856  0.269146  0.467292  1
  Cu  Cu135  1  0.809689  0.274445  0.456586  1
  Cu  Cu136  1  0.202539  0.779742  0.445707  1
  Cu  Cu137  1  0.595231  0.785064  0.435000  1
  Cu  Cu138  1  0.809764  0.774411  0.456653  1
  Cu  Cu139  1  0.290033  0.402622  0.450056  1
  Cu  Cu140  1  0.682782  0.407883  0.439447  1
  Cu  Cu141  1  0.897353  0.397254  0.461017  1
  Cu  Cu142  1  0.289935  0.902604  0.450150  1
  Cu  Cu143  1  0.682750  0.907908  0.439446  1
  Cu  Cu144  1  0.897292  0.897249  0.461000  1
  Cu  Cu145  1  0.935103  0.505753  0.494444  1
  Cu  Cu146  1  0.327723  0.511131  0.483529  1
  Cu  Cu147  1  0.720544  0.516434  0.472793  1
  Cu  Cu148  1  0.935037  0.005750  0.494406  1
  Cu  Cu149  1  0.327717  0.011130  0.483553  1
  Cu  Cu150  1  0.720513  0.016454  0.472783  1
  Cu  Cu151  1  0.151115  0.630238  0.495465  1
  Cu  Cu152  1  0.543723  0.635625  0.484537  1
  Cu  Cu153  1  0.936712  0.640917  0.473849  1
  Cu  Cu154  1  0.151065  0.130264  0.495407  1
  Cu  Cu155  1  0.543719  0.135652  0.484549  1
  Cu  Cu156  1  0.936582  0.140948  0.473780  1
  Cu  Cu157  1  0.024243  0.263755  0.478200  1
  Cu  Cu158  1  0.238604  0.253117  0.499782  1
  Cu  Cu159  1  0.631295  0.258477  0.488922  1
  Cu  Cu160  1  0.024271  0.763731  0.478220  1
  Cu  Cu161  1  0.416876  0.769112  0.467330  1
  Cu  Cu162  1  0.631353  0.758440  0.488993  1
  Cu  Cu163  1  0.111788  0.386606  0.482536  1
  Cu  Cu164  1  0.504422  0.391946  0.471727  1
  Cu  Cu165  1  0.718956  0.381259  0.493405  1
  Cu  Cu166  1  0.111743  0.886589  0.482556  1
  Cu  Cu167  1  0.504452  0.891931  0.471806  1
  Cu  Cu168  1  0.718987  0.881252  0.493429  1
  Cu  Cu169  1  0.756668  0.489789  0.526777  1
  Cu  Cu170  1  0.149489  0.495092  0.516041  1
  Cu  Cu171  1  0.542109  0.500470  0.505125  1
  Cu  Cu172  1  0.756700  0.989769  0.526787  1
  Cu  Cu173  1  0.149495  0.995093  0.516016  1
  Cu  Cu174  1  0.542175  1.000473  0.505164  1
  Cu  Cu175  1  0.972791  0.614277  0.527842  1
  Cu  Cu176  1  0.365424  0.619617  0.517033  1
  Cu  Cu177  1  0.758257  0.624964  0.506164  1
  Cu  Cu178  1  0.972760  0.114292  0.527763  1
  Cu  Cu179  1  0.365470  0.119634  0.517013  1
  Cu  Cu180  1  0.758225  0.124971  0.506141  1
  Cu  Cu181  1  0.845859  0.247783  0.510576  1
  Cu  Cu182  1  0.060336  0.237111  0.532239  1
  Cu  Cu183  1  0.452942  0.242492  0.521350  1
  Cu  Cu184  1  0.845917  0.747746  0.510647  1
  Cu  Cu185  1  0.238609  0.753106  0.499787  1
  Cu  Cu186  1  0.452970  0.742468  0.521369  1
  Cu  Cu187  1  0.933490  0.370598  0.515033  1
  Cu  Cu188  1  0.326097  0.375985  0.504104  1
  Cu  Cu189  1  0.540500  0.365306  0.525720  1
  Cu  Cu190  1  0.933493  0.870571  0.515020  1
  Cu  Cu191  1  0.326147  0.875959  0.504163  1
  Cu  Cu192  1  0.540630  0.865275  0.525789  1
  Cu  Cu193  1  0.578178  0.473810  0.559122  1
  Cu  Cu194  1  0.971245  0.479101  0.548485  1
  Cu  Cu195  1  0.363784  0.484475  0.537589  1
  Cu  Cu196  1  0.578357  0.973788  0.559165  1
  Cu  Cu197  1  0.971236  0.979072  0.548425  1
  Cu  Cu198  1  0.363902  0.984468  0.537607  1
  Cu  Cu199  1  0.794430  0.598340  0.560122  1
  Cu  Cu200  1  0.187179  0.603601  0.549514  1
  Cu  Cu201  1  0.579860  0.608969  0.538552  1
  Cu  Cu202  1  0.794462  0.098315  0.560124  1
  Cu  Cu203  1  0.187278  0.103619  0.549419  1
  Cu  Cu204  1  0.579920  0.108974  0.538569  1
  Cu  Cu205  1  0.667448  0.231812  0.542916  1
  Cu  Cu206  1  0.881982  0.221159  0.564569  1
  Cu  Cu207  1  0.274674  0.226481  0.553862  1
  Cu  Cu208  1  0.667523  0.731778  0.542983  1
  Cu  Cu209  1  0.060356  0.737077  0.532278  1
  Cu  Cu210  1  0.274649  0.726465  0.553868  1
  Cu  Cu211  1  0.755068  0.354605  0.547395  1
  Cu  Cu212  1  0.147834  0.359961  0.536601  1
  Cu  Cu213  1  0.362064  0.349355  0.558126  1
  Cu  Cu214  1  0.755187  0.854561  0.547444  1
  Cu  Cu215  1  0.147886  0.859949  0.536604  1
  Cu  Cu216  1  0.362226  0.849318  0.558167  1
  Cu  Cu217  1  0.399773  0.457824  0.591640  1
  Cu  Cu218  1  0.792821  0.463157  0.580732  1
  Cu  Cu219  1  0.185564  0.468432  0.570131  1
  Cu  Cu220  1  0.400075  0.957784  0.591654  1
  Cu  Cu221  1  0.792928  0.963106  0.580781  1
  Cu  Cu222  1  0.185698  0.968424  0.570094  1
  Cu  Cu223  1  0.616132  0.582304  0.592503  1
  Cu  Cu224  1  0.008964  0.587685  0.581855  1
  Cu  Cu225  1  0.401577  0.592968  0.571076  1
  Cu  Cu226  1  0.616248  0.082280  0.592558  1
  Cu  Cu227  1  0.009041  0.087662  0.581709  1
  Cu  Cu228  1  0.401735  0.092978  0.571058  1
  Cu  Cu229  1  0.489046  0.215852  0.575349  1
  Cu  Cu230  1  0.703591  0.205203  0.596879  1
  Cu  Cu231  1  0.096513  0.210470  0.586293  1
  Cu  Cu232  1  0.489089  0.715825  0.575363  1
  Cu  Cu233  1  0.882073  0.721094  0.564696  1
  Cu  Cu234  1  0.096426  0.710433  0.586391  1
  Cu  Cu235  1  0.576477  0.338644  0.579681  1
  Cu  Cu236  1  0.969568  0.343947  0.569109  1
  Cu  Cu237  1  0.183732  0.333338  0.590701  1
  Cu  Cu238  1  0.576741  0.838578  0.579766  1
  Cu  Cu239  1  0.969623  0.843910  0.569071  1
  Cu  Cu240  1  0.183859  0.833313  0.590669  1
  Cu  Cu241  1  0.221481  0.441854  0.624292  1
  Cu  Cu242  1  0.614084  0.447244  0.613048  1
  Cu  Cu243  1  0.007367  0.452483  0.602596  1
  Cu  Cu244  1  0.221863  0.941737  0.624237  1
  Cu  Cu245  1  0.614410  0.947183  0.613120  1
  Cu  Cu246  1  0.007435  0.952407  0.602471  1
  Cu  Cu247  1  0.438189  0.566255  0.625101  1
  Cu  Cu248  1  0.830684  0.571854  0.614019  1
  Cu  Cu249  1  0.223465  0.576997  0.603571  1
  Cu  Cu250  1  0.438333  0.066249  0.625131  1
  Cu  Cu251  1  0.830798  0.071812  0.614088  1
  Cu  Cu252  1  0.223789  0.076954  0.603436  1
  Cu  Cu253  1  0.310909  0.199889  0.607953  1
  Cu  Cu254  1  0.525477  0.189085  0.629241  1
  Cu  Cu255  1  0.918080  0.194634  0.618504  1
  Cu  Cu256  1  0.310760  0.699844  0.607953  1
  Cu  Cu257  1  0.703811  0.705143  0.596984  1
  Cu  Cu258  1  0.918315  0.694478  0.618846  1
  Cu  Cu259  1  0.397740  0.322800  0.612106  1
  Cu  Cu260  1  0.790962  0.328021  0.601427  1
  Cu  Cu261  1  0.005365  0.317295  0.623277  1
  Cu  Cu262  1  0.397946  0.822709  0.612130  1
  Cu  Cu263  1  0.791231  0.827913  0.601519  1
  Cu  Cu264  1  0.005407  0.817345  0.623167  1
  Cu  Cu265  1  0.043318  0.425905  0.656667  1
  Cu  Cu266  1  0.435403  0.431337  0.645678  1
  Cu  Cu267  1  0.828684  0.436599  0.634630  1
  Cu  Cu268  1  0.043463  0.925831  0.656484  1
  Cu  Cu269  1  0.435861  0.931222  0.645674  1
  Cu  Cu270  1  0.828966  0.936624  0.634754  1
  Cu  Cu271  1  0.260340  0.550503  0.657473  1
  Cu  Cu272  1  0.652532  0.555999  0.646436  1
  Cu  Cu273  1  0.045483  0.561375  0.635845  1
  Cu  Cu274  1  0.260801  0.050395  0.657393  1
  Cu  Cu275  1  0.652681  0.055822  0.646536  1
  Cu  Cu276  1  0.045805  0.061083  0.635555  1
  Cu  Cu277  1  0.132957  0.183895  0.640297  1
  Cu  Cu278  1  0.347464  0.172973  0.661883  1
  Cu  Cu279  1  0.739383  0.178724  0.650846  1
  Cu  Cu280  1  0.132327  0.683889  0.640511  1
  Cu  Cu281  1  0.525564  0.689085  0.629249  1
  Cu  Cu282  1  0.740124  0.678651  0.651005  1
  Cu  Cu283  1  0.218781  0.306972  0.644836  1
  Cu  Cu284  1  0.612002  0.312111  0.633650  1
  Cu  Cu285  1  0.826314  0.301546  0.655477  1
  Cu  Cu286  1  0.218877  0.806808  0.644762  1
  Cu  Cu287  1  0.612361  0.811970  0.633741  1
  Cu  Cu288  1  0.826831  0.801243  0.655560  1
  Cu  Cu289  1  0.864942  0.409579  0.688217  1
  Cu  Cu290  1  0.259063  0.414532  0.678301  1
  Cu  Cu291  1  0.650560  0.420481  0.666563  1
  Cu  Cu292  1  0.864999  0.910045  0.688349  1
  Cu  Cu293  1  0.259334  0.914292  0.678280  1
  Cu  Cu294  1  0.650895  0.920307  0.666693  1
  Cu  Cu295  1  0.082644  0.534812  0.689193  1
  Cu  Cu296  1  0.476164  0.538686  0.679066  1
  Cu  Cu297  1  0.867347  0.544952  0.667518  1
  Cu  Cu298  1  0.082995  0.034351  0.689100  1
  Cu  Cu299  1  0.476108  0.038583  0.679185  1
  Cu  Cu300  1  0.867747  0.045363  0.667889  1
  Cu  Cu301  1  0.953839  0.167666  0.672004  1
  Cu  Cu302  1  0.168809  0.157536  0.693655  1
  Cu  Cu303  1  0.562029  0.162206  0.682969  1
  Cu  Cu304  1  0.954464  0.667098  0.673017  1
  Cu  Cu305  1  0.347301  0.672903  0.661832  1
  Cu  Cu306  1  0.561992  0.662232  0.682951  1
  Cu  Cu307  1  0.041247  0.289717  0.677426  1
  Cu  Cu308  1  0.433580  0.295646  0.665703  1
  Cu  Cu309  1  0.647869  0.285401  0.687363  1
  Cu  Cu310  1  0.041146  0.790346  0.677077  1
  Cu  Cu311  1  0.433554  0.795595  0.665709  1
  Cu  Cu312  1  0.647639  0.785306  0.687424  1
  Cu  Cu313  1  0.686068  0.395064  0.718223  1
  Cu  Cu314  1  0.079053  0.400090  0.708724  1
  Cu  Cu315  1  0.472111  0.404362  0.698596  1
  Cu  Cu316  1  0.685317  0.895217  0.718293  1
  Cu  Cu317  1  0.078937  0.899751  0.708704  1
  Cu  Cu318  1  0.471713  0.904490  0.698638  1
  Cu  Cu319  1  0.904079  0.518225  0.718795  1
  Cu  Cu320  1  0.297872  0.524284  0.709353  1
  Cu  Cu321  1  0.689235  0.529421  0.699397  1
  Cu  Cu322  1  0.904605  0.019181  0.719508  1
  Cu  Cu323  1  0.296376  0.024811  0.709610  1
  Cu  Cu324  1  0.689361  0.029540  0.699556  1
  Cu  Cu325  1  0.775030  0.152212  0.703785  1
  Cu  Cu326  1  0.988799  0.141719  0.723363  1
  Cu  Cu327  1  0.383060  0.147353  0.713712  1
  Cu  Cu328  1  0.775364  0.651867  0.703680  1
  Cu  Cu329  1  0.168681  0.657290  0.693533  1
  Cu  Cu330  1  0.382820  0.647305  0.713593  1
  Cu  Cu331  1  0.860908  0.274674  0.708087  1
  Cu  Cu332  1  0.254487  0.280247  0.697766  1
  Cu  Cu333  1  0.467194  0.269882  0.717333  1
  Cu  Cu334  1  0.859936  0.775462  0.707802  1
  Cu  Cu335  1  0.254125  0.779924  0.697639  1
  Cu  Cu336  1  0.466599  0.769951  0.717311  1
