# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.46719286
_cell_length_b   12.92222014
_cell_length_c   46.25669268
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.19253973
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu204
_cell_volume   4779.86867359
_cell_formula_units_Z   204
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  0.560514  0.530896  0.287802  1
  Cu  Cu2  1  0.060514  0.530896  0.287802  1
  Cu  Cu3  1  0.986416  0.872505  0.280726  1
  Cu  Cu4  1  0.137569  0.190146  0.295162  1
  Cu  Cu5  1  0.486416  0.872505  0.280726  1
  Cu  Cu6  1  0.637569  0.190146  0.295162  1
  Cu  Cu7  1  0.813317  0.690199  0.295175  1
  Cu  Cu8  1  0.313317  0.690199  0.295175  1
  Cu  Cu9  1  0.231211  0.030985  0.287798  1
  Cu  Cu10  1  0.646556  0.372371  0.280746  1
  Cu  Cu11  1  0.731211  0.030985  0.287798  1
  Cu  Cu12  1  0.146556  0.372371  0.280746  1
  Cu  Cu13  1  0.302006  0.511598  0.312652  1
  Cu  Cu14  1  0.802006  0.511598  0.312652  1
  Cu  Cu15  1  0.722593  0.849344  0.303584  1
  Cu  Cu16  1  0.880651  0.172323  0.320595  1
  Cu  Cu17  1  0.222593  0.849344  0.303584  1
  Cu  Cu18  1  0.380651  0.172323  0.320595  1
  Cu  Cu19  1  0.552357  0.672274  0.320600  1
  Cu  Cu20  1  0.052357  0.672274  0.320600  1
  Cu  Cu21  1  0.970265  0.011582  0.312655  1
  Cu  Cu22  1  0.387280  0.349356  0.303618  1
  Cu  Cu23  1  0.470265  0.011582  0.312655  1
  Cu  Cu24  1  0.887280  0.349356  0.303618  1
  Cu  Cu25  1  0.040998  0.490265  0.338501  1
  Cu  Cu26  1  0.540998  0.490265  0.338501  1
  Cu  Cu27  1  0.461559  0.830622  0.330524  1
  Cu  Cu28  1  0.621176  0.150721  0.347070  1
  Cu  Cu29  1  0.961559  0.830622  0.330524  1
  Cu  Cu30  1  0.121176  0.150721  0.347070  1
  Cu  Cu31  1  0.290230  0.650710  0.347078  1
  Cu  Cu32  1  0.790230  0.650710  0.347078  1
  Cu  Cu33  1  0.709954  0.990275  0.338495  1
  Cu  Cu34  1  0.129691  0.330609  0.330543  1
  Cu  Cu35  1  0.209954  0.990275  0.338495  1
  Cu  Cu36  1  0.629691  0.330609  0.330543  1
  Cu  Cu37  1  0.781269  0.470957  0.364918  1
  Cu  Cu38  1  0.281269  0.470957  0.364918  1
  Cu  Cu39  1  0.201579  0.810694  0.356062  1
  Cu  Cu40  1  0.360969  0.130764  0.373346  1
  Cu  Cu41  1  0.701579  0.810694  0.356062  1
  Cu  Cu42  1  0.860969  0.130764  0.373346  1
  Cu  Cu43  1  0.030480  0.630766  0.373356  1
  Cu  Cu44  1  0.530480  0.630766  0.373356  1
  Cu  Cu45  1  0.450371  0.970950  0.364917  1
  Cu  Cu46  1  0.869748  0.310680  0.356085  1
  Cu  Cu47  1  0.950371  0.970950  0.364917  1
  Cu  Cu48  1  0.369748  0.310680  0.356085  1
  Cu  Cu49  1  0.520859  0.450557  0.391255  1
  Cu  Cu50  1  0.020859  0.450557  0.391255  1
  Cu  Cu51  1  0.940944  0.790370  0.382625  1
  Cu  Cu52  1  0.100886  0.110511  0.399998  1
  Cu  Cu53  1  0.440944  0.790370  0.382625  1
  Cu  Cu54  1  0.600886  0.110511  0.399998  1
  Cu  Cu55  1  0.770306  0.610511  0.400008  1
  Cu  Cu56  1  0.270306  0.610511  0.400008  1
  Cu  Cu57  1  0.190376  0.950553  0.391253  1
  Cu  Cu58  1  0.610081  0.290364  0.382641  1
  Cu  Cu59  1  0.690376  0.950553  0.391253  1
  Cu  Cu60  1  0.110081  0.290364  0.382641  1
  Cu  Cu61  1  0.260740  0.430377  0.417720  1
  Cu  Cu62  1  0.760740  0.430377  0.417720  1
  Cu  Cu63  1  0.680678  0.770319  0.408890  1
  Cu  Cu64  1  0.840778  0.090368  0.426411  1
  Cu  Cu65  1  0.180678  0.770319  0.408890  1
  Cu  Cu66  1  0.340778  0.090368  0.426411  1
  Cu  Cu67  1  0.510264  0.590371  0.426420  1
  Cu  Cu68  1  0.010264  0.590371  0.426420  1
  Cu  Cu69  1  0.930312  0.930377  0.417721  1
  Cu  Cu70  1  0.350306  0.270308  0.408904  1
  Cu  Cu71  1  0.430312  0.930377  0.417721  1
  Cu  Cu72  1  0.850306  0.270308  0.408904  1
  Cu  Cu73  1  1.000615  0.410215  0.444119  1
  Cu  Cu74  1  0.500615  0.410215  0.444119  1
  Cu  Cu75  1  0.420579  0.750210  0.435361  1
  Cu  Cu76  1  0.580654  0.070174  0.452901  1
  Cu  Cu77  1  0.920579  0.750210  0.435361  1
  Cu  Cu78  1  0.080654  0.070174  0.452901  1
  Cu  Cu79  1  0.250188  0.570174  0.452910  1
  Cu  Cu80  1  0.750188  0.570174  0.452910  1
  Cu  Cu81  1  0.670269  0.910213  0.444120  1
  Cu  Cu82  1  0.090297  0.250201  0.435373  1
  Cu  Cu83  1  0.170269  0.910213  0.444120  1
  Cu  Cu84  1  0.590297  0.250201  0.435373  1
  Cu  Cu85  1  0.740548  0.390061  0.470562  1
  Cu  Cu86  1  0.240548  0.390061  0.470562  1
  Cu  Cu87  1  0.160509  0.730076  0.461754  1
  Cu  Cu88  1  0.320538  0.050030  0.479333  1
  Cu  Cu89  1  0.660509  0.730076  0.461754  1
  Cu  Cu90  1  0.820538  0.050030  0.479333  1
  Cu  Cu91  1  0.990155  0.550028  0.479342  1
  Cu  Cu92  1  0.490155  0.550028  0.479342  1
  Cu  Cu93  1  0.410179  0.890061  0.470564  1
  Cu  Cu94  1  0.830230  0.230068  0.461763  1
  Cu  Cu95  1  0.910179  0.890061  0.470564  1
  Cu  Cu96  1  0.330230  0.230068  0.461763  1
  Cu  Cu97  1  0.480461  0.369904  0.496987  1
  Cu  Cu98  1  0.980461  0.369904  0.496987  1
  Cu  Cu99  1  0.900462  0.709931  0.488194  1
  Cu  Cu100  1  0.060434  0.029880  0.505773  1
  Cu  Cu101  1  0.400462  0.709931  0.488194  1
  Cu  Cu102  1  0.560434  0.029880  0.505773  1
  Cu  Cu103  1  0.730102  0.529875  0.505782  1
  Cu  Cu104  1  0.230102  0.529875  0.505782  1
  Cu  Cu105  1  0.150103  0.869903  0.496989  1
  Cu  Cu106  1  0.570130  0.209926  0.488203  1
  Cu  Cu107  1  0.650103  0.869903  0.496989  1
  Cu  Cu108  1  0.070130  0.209926  0.488203  1
  Cu  Cu109  1  0.220385  0.349745  0.523411  1
  Cu  Cu110  1  0.720385  0.349745  0.523411  1
  Cu  Cu111  1  0.640409  0.689778  0.514633  1
  Cu  Cu112  1  0.800334  0.009738  0.532212  1
  Cu  Cu113  1  0.140409  0.689778  0.514633  1
  Cu  Cu114  1  0.300334  0.009738  0.532212  1
  Cu  Cu115  1  0.470055  0.509730  0.532222  1
  Cu  Cu116  1  0.970055  0.509730  0.532222  1
  Cu  Cu117  1  0.890016  0.849745  0.523413  1
  Cu  Cu118  1  0.310026  0.189776  0.514642  1
  Cu  Cu119  1  0.390016  0.849745  0.523413  1
  Cu  Cu120  1  0.810026  0.189776  0.514642  1
  Cu  Cu121  1  0.960295  0.329593  0.549855  1
  Cu  Cu122  1  0.460295  0.329593  0.549855  1
  Cu  Cu123  1  0.380376  0.669632  0.541066  1
  Cu  Cu124  1  0.540268  0.989605  0.558603  1
  Cu  Cu125  1  0.880376  0.669632  0.541066  1
  Cu  Cu126  1  0.040268  0.989605  0.558603  1
  Cu  Cu127  1  0.209985  0.489596  0.558614  1
  Cu  Cu128  1  0.709985  0.489596  0.558614  1
  Cu  Cu129  1  0.629949  0.829592  0.549856  1
  Cu  Cu130  1  0.049910  0.169632  0.541075  1
  Cu  Cu131  1  0.129949  0.829592  0.549856  1
  Cu  Cu132  1  0.549910  0.169632  0.541075  1
  Cu  Cu133  1  0.700252  0.309429  0.576254  1
  Cu  Cu134  1  0.200252  0.309429  0.576254  1
  Cu  Cu135  1  0.120300  0.649435  0.567555  1
  Cu  Cu136  1  0.280258  0.969498  0.585072  1
  Cu  Cu137  1  0.620300  0.649435  0.567555  1
  Cu  Cu138  1  0.780258  0.969498  0.585072  1
  Cu  Cu139  1  0.949886  0.469487  0.585085  1
  Cu  Cu140  1  0.449886  0.469487  0.585085  1
  Cu  Cu141  1  0.369824  0.809430  0.576255  1
  Cu  Cu142  1  0.789786  0.149438  0.567565  1
  Cu  Cu143  1  0.869824  0.809430  0.576255  1
  Cu  Cu144  1  0.289786  0.149438  0.567565  1
  Cu  Cu145  1  0.440188  0.289253  0.602722  1
  Cu  Cu146  1  0.940188  0.289253  0.602722  1
  Cu  Cu147  1  0.860258  0.629295  0.593968  1
  Cu  Cu148  1  0.020483  0.949443  0.611335  1
  Cu  Cu149  1  0.360258  0.629295  0.593968  1
  Cu  Cu150  1  0.520483  0.949443  0.611335  1
  Cu  Cu151  1  0.689620  0.449437  0.611350  1
  Cu  Cu152  1  0.189620  0.449437  0.611350  1
  Cu  Cu153  1  0.109705  0.789250  0.602720  1
  Cu  Cu154  1  0.529678  0.129295  0.593977  1
  Cu  Cu155  1  0.609705  0.789250  0.602720  1
  Cu  Cu156  1  0.029678  0.129295  0.593977  1
  Cu  Cu157  1  0.180193  0.268856  0.629058  1
  Cu  Cu158  1  0.680193  0.268856  0.629058  1
  Cu  Cu159  1  0.600084  0.609040  0.620619  1
  Cu  Cu160  1  0.760816  0.929126  0.637891  1
  Cu  Cu161  1  0.100084  0.609040  0.620619  1
  Cu  Cu162  1  0.260816  0.929126  0.637891  1
  Cu  Cu163  1  0.428985  0.429112  0.637913  1
  Cu  Cu164  1  0.928985  0.429112  0.637913  1
  Cu  Cu165  1  0.849295  0.768849  0.629058  1
  Cu  Cu166  1  0.269595  0.109042  0.620629  1
  Cu  Cu167  1  0.349295  0.768849  0.629058  1
  Cu  Cu168  1  0.769595  0.109042  0.620629  1
  Cu  Cu169  1  0.920610  0.249531  0.655480  1
  Cu  Cu170  1  0.420610  0.249531  0.655480  1
  Cu  Cu171  1  0.340334  0.589096  0.646898  1
  Cu  Cu172  1  0.500873  0.909197  0.663432  1
  Cu  Cu173  1  0.840334  0.589096  0.646898  1
  Cu  Cu174  1  1.000873  0.909197  0.663432  1
  Cu  Cu175  1  0.169006  0.409184  0.663452  1
  Cu  Cu176  1  0.669006  0.409184  0.663452  1
  Cu  Cu177  1  0.589566  0.749541  0.655475  1
  Cu  Cu178  1  0.009388  0.089085  0.646906  1
  Cu  Cu179  1  0.089566  0.749541  0.655475  1
  Cu  Cu180  1  0.509388  0.089085  0.646906  1
  Cu  Cu181  1  0.660299  0.228224  0.681321  1
  Cu  Cu182  1  0.160299  0.228224  0.681321  1
  Cu  Cu183  1  0.078207  0.567532  0.673375  1
  Cu  Cu184  1  0.243284  0.890451  0.690358  1
  Cu  Cu185  1  0.578207  0.567532  0.673375  1
  Cu  Cu186  1  0.743284  0.890451  0.690358  1
  Cu  Cu187  1  0.907972  0.390462  0.690391  1
  Cu  Cu188  1  0.407972  0.390462  0.690391  1
  Cu  Cu189  1  0.328559  0.728208  0.681324  1
  Cu  Cu190  1  0.749913  0.067483  0.673381  1
  Cu  Cu191  1  0.828559  0.728208  0.681324  1
  Cu  Cu192  1  0.249913  0.067483  0.673381  1
  Cu  Cu193  1  0.399354  0.208821  0.706178  1
  Cu  Cu194  1  0.899354  0.208821  0.706178  1
  Cu  Cu195  1  0.817247  0.549607  0.698800  1
  Cu  Cu196  1  0.984008  0.867435  0.713229  1
  Cu  Cu197  1  0.317247  0.549607  0.698800  1
  Cu  Cu198  1  0.484008  0.867435  0.713229  1
  Cu  Cu199  1  0.644148  0.367301  0.713249  1
  Cu  Cu200  1  0.144148  0.367301  0.713249  1
  Cu  Cu201  1  0.070050  0.708910  0.706173  1
  Cu  Cu202  1  0.492995  0.049661  0.698813  1
  Cu  Cu203  1  0.570050  0.708910  0.706173  1
  Cu  Cu204  1  0.992995  0.049661  0.698813  1
