# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.23564451
_cell_length_b   13.04668593
_cell_length_c   46.55634126
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.90653073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu216
_cell_volume   5718.98439032
_cell_formula_units_Z   216
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  0.196321  0.092402  0.318442  1
  Cu  Cu2  1  0.695980  0.091659  0.318062  1
  Cu  Cu3  1  0.264718  0.454876  0.302566  1
  Cu  Cu4  1  0.334025  0.815899  0.286459  1
  Cu  Cu5  1  0.765037  0.454743  0.302498  1
  Cu  Cu6  1  0.834704  0.816545  0.286537  1
  Cu  Cu7  1  0.480343  0.274005  0.310509  1
  Cu  Cu8  1  0.980866  0.272967  0.310104  1
  Cu  Cu9  1  0.549668  0.635715  0.294463  1
  Cu  Cu10  1  0.411975  0.908798  0.327185  1
  Cu  Cu11  1  0.049312  0.635710  0.294471  1
  Cu  Cu12  1  0.119112  0.996478  0.278927  1
  Cu  Cu13  1  0.231267  0.272759  0.310212  1
  Cu  Cu14  1  0.730671  0.272756  0.310204  1
  Cu  Cu15  1  0.299584  0.635521  0.294444  1
  Cu  Cu16  1  0.367255  0.995417  0.279535  1
  Cu  Cu17  1  0.799352  0.635990  0.294398  1
  Cu  Cu18  1  0.872034  0.995405  0.279536  1
  Cu  Cu19  1  0.447055  0.091664  0.318065  1
  Cu  Cu20  1  0.945981  0.092398  0.318440  1
  Cu  Cu21  1  0.515095  0.454877  0.302560  1
  Cu  Cu22  1  0.583442  0.816554  0.286534  1
  Cu  Cu23  1  0.014916  0.454742  0.302504  1
  Cu  Cu24  1  0.084775  0.815894  0.286462  1
  Cu  Cu25  1  0.992010  1.000682  0.368407  1
  Cu  Cu26  1  0.492461  1.000458  0.367991  1
  Cu  Cu27  1  0.060815  0.363077  0.351172  1
  Cu  Cu28  1  0.129119  0.726356  0.335050  1
  Cu  Cu29  1  0.560863  0.363257  0.351289  1
  Cu  Cu30  1  0.628983  0.727427  0.334958  1
  Cu  Cu31  1  0.276944  0.181932  0.359579  1
  Cu  Cu32  1  0.775835  0.181930  0.359570  1
  Cu  Cu33  1  0.345050  0.544602  0.343209  1
  Cu  Cu34  1  0.208224  0.818269  0.376711  1
  Cu  Cu35  1  0.844794  0.545120  0.343114  1
  Cu  Cu36  1  0.913932  0.908791  0.327187  1
  Cu  Cu37  1  0.026240  0.182236  0.359686  1
  Cu  Cu38  1  0.526423  0.181858  0.359440  1
  Cu  Cu39  1  0.094632  0.544913  0.343207  1
  Cu  Cu40  1  0.162626  0.909454  0.326758  1
  Cu  Cu41  1  0.595157  0.544920  0.343197  1
  Cu  Cu42  1  0.661612  0.911475  0.325623  1
  Cu  Cu43  1  0.242024  1.000688  0.368409  1
  Cu  Cu44  1  0.741790  1.000452  0.367990  1
  Cu  Cu45  1  0.310589  0.363253  0.351297  1
  Cu  Cu46  1  0.379227  0.726361  0.335044  1
  Cu  Cu47  1  0.810815  0.363081  0.351164  1
  Cu  Cu48  1  0.878297  0.727421  0.334964  1
  Cu  Cu49  1  0.787827  0.908973  0.418358  1
  Cu  Cu50  1  0.287836  0.908908  0.418541  1
  Cu  Cu51  1  0.856146  0.272187  0.401485  1
  Cu  Cu52  1  0.924070  0.636313  0.384958  1
  Cu  Cu53  1  0.356382  0.272172  0.401498  1
  Cu  Cu54  1  0.424421  0.635857  0.385039  1
  Cu  Cu55  1  0.071973  0.090793  0.410093  1
  Cu  Cu56  1  0.572032  0.090639  0.409843  1
  Cu  Cu57  1  0.140301  0.453900  0.393209  1
  Cu  Cu58  1  0.003962  0.726854  0.426859  1
  Cu  Cu59  1  0.640509  0.453914  0.393193  1
  Cu  Cu60  1  0.707820  0.819070  0.376353  1
  Cu  Cu61  1  0.821841  0.090668  0.409979  1
  Cu  Cu62  1  0.322206  0.090682  0.409991  1
  Cu  Cu63  1  0.890387  0.453949  0.393126  1
  Cu  Cu64  1  0.958465  0.818104  0.376837  1
  Cu  Cu65  1  0.390419  0.453874  0.393251  1
  Cu  Cu66  1  0.458140  0.818114  0.376829  1
  Cu  Cu67  1  0.037997  0.908895  0.418544  1
  Cu  Cu68  1  0.537906  0.908986  0.418354  1
  Cu  Cu69  1  0.106391  0.272186  0.401498  1
  Cu  Cu70  1  0.174438  0.635849  0.385048  1
  Cu  Cu71  1  0.606161  0.272174  0.401486  1
  Cu  Cu72  1  0.674332  0.636322  0.384948  1
  Cu  Cu73  1  0.583577  0.817597  0.468589  1
  Cu  Cu74  1  0.083652  0.817496  0.468680  1
  Cu  Cu75  1  0.651732  0.181117  0.451758  1
  Cu  Cu76  1  0.719968  0.544918  0.435034  1
  Cu  Cu77  1  0.151842  0.181188  0.451831  1
  Cu  Cu78  1  0.219961  0.544761  0.435120  1
  Cu  Cu79  1  0.867639  0.999386  0.460246  1
  Cu  Cu80  1  0.367693  0.999419  0.460257  1
  Cu  Cu81  1  0.935909  0.362917  0.443347  1
  Cu  Cu82  1  0.799563  0.635641  0.476895  1
  Cu  Cu83  1  0.435930  0.362866  0.443402  1
  Cu  Cu84  1  0.503900  0.726873  0.426840  1
  Cu  Cu85  1  0.617642  0.999407  0.460173  1
  Cu  Cu86  1  0.117670  0.999436  0.460316  1
  Cu  Cu87  1  0.685903  0.362899  0.443363  1
  Cu  Cu88  1  0.753775  0.727181  0.426703  1
  Cu  Cu89  1  0.185939  0.362877  0.443394  1
  Cu  Cu90  1  0.253936  0.726847  0.426831  1
  Cu  Cu91  1  0.833565  0.817578  0.468605  1
  Cu  Cu92  1  0.333586  0.817516  0.468664  1
  Cu  Cu93  1  0.901723  0.181178  0.451807  1
  Cu  Cu94  1  0.969861  0.544898  0.435052  1
  Cu  Cu95  1  0.401862  0.181127  0.451782  1
  Cu  Cu96  1  0.469986  0.544781  0.435103  1
  Cu  Cu97  1  0.379236  0.726237  0.518792  1
  Cu  Cu98  1  0.879251  0.726242  0.518797  1
  Cu  Cu99  1  0.447384  0.089975  0.502051  1
  Cu  Cu100  1  0.515567  0.453594  0.485235  1
  Cu  Cu101  1  0.947393  0.089969  0.502055  1
  Cu  Cu102  1  0.015558  0.453592  0.485230  1
  Cu  Cu103  1  0.663253  0.908178  0.510433  1
  Cu  Cu104  1  0.163327  0.908155  0.510501  1
  Cu  Cu105  1  0.731459  0.271755  0.493577  1
  Cu  Cu106  1  0.595223  0.544327  0.527042  1
  Cu  Cu107  1  0.231535  0.271743  0.493644  1
  Cu  Cu108  1  0.299597  0.635517  0.476963  1
  Cu  Cu109  1  0.413286  0.908186  0.510462  1
  Cu  Cu110  1  0.913298  0.908139  0.510473  1
  Cu  Cu111  1  0.481508  0.271717  0.493612  1
  Cu  Cu112  1  0.549602  0.635572  0.476926  1
  Cu  Cu113  1  0.981491  0.271770  0.493612  1
  Cu  Cu114  1  0.049586  0.635528  0.476963  1
  Cu  Cu115  1  0.629262  0.726282  0.518758  1
  Cu  Cu116  1  0.129269  0.726197  0.518832  1
  Cu  Cu117  1  0.697349  0.089937  0.502013  1
  Cu  Cu118  1  0.765572  0.453637  0.485198  1
  Cu  Cu119  1  0.197419  0.090007  0.502093  1
  Cu  Cu120  1  0.265597  0.453549  0.485267  1
  Cu  Cu121  1  0.174945  0.634828  0.568967  1
  Cu  Cu122  1  0.674945  0.635003  0.568885  1
  Cu  Cu123  1  0.243025  0.998850  0.552334  1
  Cu  Cu124  1  0.311281  0.362276  0.535472  1
  Cu  Cu125  1  0.742907  0.998785  0.552275  1
  Cu  Cu126  1  0.811189  0.362376  0.535384  1
  Cu  Cu127  1  0.458887  0.816993  0.560619  1
  Cu  Cu128  1  0.958899  0.816954  0.560690  1
  Cu  Cu129  1  0.527078  0.180511  0.543855  1
  Cu  Cu130  1  0.391039  0.452761  0.577293  1
  Cu  Cu131  1  0.027151  0.180543  0.543870  1
  Cu  Cu132  1  0.095265  0.544198  0.527103  1
  Cu  Cu133  1  0.208894  0.816956  0.560675  1
  Cu  Cu134  1  0.708897  0.816980  0.560643  1
  Cu  Cu135  1  0.277110  0.180577  0.543926  1
  Cu  Cu136  1  0.345255  0.544205  0.527111  1
  Cu  Cu137  1  0.777097  0.180519  0.543784  1
  Cu  Cu138  1  0.845269  0.544250  0.527072  1
  Cu  Cu139  1  0.424832  0.634983  0.568903  1
  Cu  Cu140  1  0.924969  0.634848  0.568949  1
  Cu  Cu141  1  0.492899  0.998845  0.552310  1
  Cu  Cu142  1  0.561188  0.362354  0.535397  1
  Cu  Cu143  1  0.993047  0.998791  0.552299  1
  Cu  Cu144  1  0.061196  0.362298  0.535458  1
  Cu  Cu145  1  0.970705  0.543326  0.619057  1
  Cu  Cu146  1  0.470327  0.543848  0.618986  1
  Cu  Cu147  1  0.038538  0.907840  0.602572  1
  Cu  Cu148  1  0.106825  0.270953  0.585759  1
  Cu  Cu149  1  0.538394  0.907818  0.602525  1
  Cu  Cu150  1  0.606834  0.270993  0.585564  1
  Cu  Cu151  1  0.254328  0.725821  0.610785  1
  Cu  Cu152  1  0.754616  0.725835  0.610768  1
  Cu  Cu153  1  0.322632  0.089521  0.594261  1
  Cu  Cu154  1  0.186810  0.361160  0.627430  1
  Cu  Cu155  1  0.822720  0.089310  0.594036  1
  Cu  Cu156  1  0.890953  0.452781  0.577275  1
  Cu  Cu157  1  0.004497  0.725771  0.610823  1
  Cu  Cu158  1  0.504439  0.725900  0.610702  1
  Cu  Cu159  1  0.072924  0.089379  0.594176  1
  Cu  Cu160  1  0.140995  0.452772  0.577250  1
  Cu  Cu161  1  0.572471  0.089367  0.594163  1
  Cu  Cu162  1  0.640830  0.453106  0.577134  1
  Cu  Cu163  1  0.220745  0.543316  0.619067  1
  Cu  Cu164  1  0.720597  0.543858  0.618976  1
  Cu  Cu165  1  0.288564  0.907815  0.602538  1
  Cu  Cu166  1  0.357007  0.270940  0.585761  1
  Cu  Cu167  1  0.788385  0.907843  0.602559  1
  Cu  Cu168  1  0.856919  0.271006  0.585562  1
  Cu  Cu169  1  0.766154  0.453275  0.668966  1
  Cu  Cu170  1  0.266303  0.452000  0.669018  1
  Cu  Cu171  1  0.834159  0.816921  0.652719  1
  Cu  Cu172  1  0.903144  0.179272  0.635792  1
  Cu  Cu173  1  0.333943  0.816721  0.652586  1
  Cu  Cu174  1  0.402515  0.179661  0.636235  1
  Cu  Cu175  1  0.050034  0.634713  0.660789  1
  Cu  Cu176  1  0.549750  0.635286  0.660728  1
  Cu  Cu177  1  0.118653  0.998252  0.644532  1
  Cu  Cu178  1  0.981387  0.268753  0.678042  1
  Cu  Cu179  1  0.617876  0.998249  0.644521  1
  Cu  Cu180  1  0.686396  0.361979  0.627083  1
  Cu  Cu181  1  0.800204  0.635056  0.660797  1
  Cu  Cu182  1  0.299528  0.635048  0.660808  1
  Cu  Cu183  1  0.868236  0.998301  0.644450  1
  Cu  Cu184  1  0.936695  0.360946  0.627589  1
  Cu  Cu185  1  0.368175  0.998434  0.644566  1
  Cu  Cu186  1  0.437140  0.360935  0.627597  1
  Cu  Cu187  1  0.016479  0.452007  0.669012  1
  Cu  Cu188  1  0.515359  0.453268  0.668972  1
  Cu  Cu189  1  0.083702  0.816917  0.652727  1
  Cu  Cu190  1  0.152605  0.179667  0.636237  1
  Cu  Cu191  1  0.584117  0.816725  0.652577  1
  Cu  Cu192  1  0.652356  0.179267  0.635790  1
  Cu  Cu193  1  0.560640  0.364656  0.717246  1
  Cu  Cu194  1  0.059750  0.364889  0.717065  1
  Cu  Cu195  1  0.629817  0.725380  0.701362  1
  Cu  Cu196  1  0.697636  0.088144  0.685586  1
  Cu  Cu197  1  0.129284  0.725739  0.701423  1
  Cu  Cu198  1  0.198591  0.088359  0.685741  1
  Cu  Cu199  1  0.845106  0.544821  0.709488  1
  Cu  Cu200  1  0.344871  0.544817  0.709496  1
  Cu  Cu201  1  0.913359  0.908072  0.693708  1
  Cu  Cu202  1  0.774490  0.185795  0.723500  1
  Cu  Cu203  1  0.414258  0.906282  0.693245  1
  Cu  Cu204  1  0.484652  0.268744  0.678046  1
  Cu  Cu205  1  0.594931  0.544936  0.709449  1
  Cu  Cu206  1  0.094990  0.544813  0.709433  1
  Cu  Cu207  1  0.663998  0.906395  0.693369  1
  Cu  Cu208  1  0.731536  0.271708  0.676302  1
  Cu  Cu209  1  0.164400  0.906398  0.693377  1
  Cu  Cu210  1  0.232641  0.269509  0.677574  1
  Cu  Cu211  1  0.809491  0.364660  0.717242  1
  Cu  Cu212  1  0.310152  0.364883  0.717069  1
  Cu  Cu213  1  0.879770  0.725740  0.701417  1
  Cu  Cu214  1  0.949005  0.088151  0.685589  1
  Cu  Cu215  1  0.379603  0.725379  0.701368  1
  Cu  Cu216  1  0.447847  0.088353  0.685737  1
