# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.14483271
_cell_length_b   12.67881184
_cell_length_c   45.72593692
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.00723164
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu198
_cell_volume   5250.21889368
_cell_formula_units_Z   198
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  0.967208  0.585087  0.312149  1
  Cu  Cu2  1  0.300541  0.251754  0.312149  1
  Cu  Cu3  1  0.423580  0.600232  0.287728  1
  Cu  Cu4  1  0.633875  0.918420  0.312149  1
  Cu  Cu5  1  0.756913  0.266899  0.287728  1
  Cu  Cu6  1  0.694676  0.591343  0.299283  1
  Cu  Cu7  1  0.090246  0.933565  0.287728  1
  Cu  Cu8  1  0.028009  0.258010  0.299283  1
  Cu  Cu9  1  0.361343  0.924676  0.299283  1
  Cu  Cu10  1  0.093358  0.751625  0.309472  1
  Cu  Cu11  1  0.426691  0.418292  0.309472  1
  Cu  Cu12  1  0.545535  0.766118  0.285337  1
  Cu  Cu13  1  0.760025  0.084959  0.309472  1
  Cu  Cu14  1  0.878869  0.432784  0.285337  1
  Cu  Cu15  1  0.818723  0.759901  0.297315  1
  Cu  Cu16  1  0.212202  0.099451  0.285337  1
  Cu  Cu17  1  0.152056  0.426568  0.297315  1
  Cu  Cu18  1  0.485390  0.093234  0.297315  1
  Cu  Cu19  1  0.779759  0.563803  0.352045  1
  Cu  Cu20  1  0.113093  0.230470  0.352045  1
  Cu  Cu21  1  0.236936  0.576711  0.325890  1
  Cu  Cu22  1  0.446426  0.897136  0.352045  1
  Cu  Cu23  1  0.570269  0.243378  0.325890  1
  Cu  Cu24  1  0.507609  0.571257  0.339370  1
  Cu  Cu25  1  0.903602  0.910045  0.325890  1
  Cu  Cu26  1  0.840942  0.237924  0.339370  1
  Cu  Cu27  1  0.174275  0.904591  0.339370  1
  Cu  Cu28  1  0.903016  0.731145  0.349641  1
  Cu  Cu29  1  0.236349  0.397812  0.349641  1
  Cu  Cu30  1  0.358887  0.746811  0.323718  1
  Cu  Cu31  1  0.569682  0.064479  0.349641  1
  Cu  Cu32  1  0.692221  0.413478  0.323718  1
  Cu  Cu33  1  0.631446  0.738264  0.336780  1
  Cu  Cu34  1  0.025554  0.080144  0.323718  1
  Cu  Cu35  1  0.964780  0.404931  0.336780  1
  Cu  Cu36  1  0.298113  0.071598  0.336780  1
  Cu  Cu37  1  0.590912  0.542480  0.392362  1
  Cu  Cu38  1  0.924245  0.209147  0.392362  1
  Cu  Cu39  1  0.049583  0.556111  0.365507  1
  Cu  Cu40  1  0.257578  0.875813  0.392362  1
  Cu  Cu41  1  0.382916  0.222777  0.365507  1
  Cu  Cu42  1  0.319720  0.549491  0.379028  1
  Cu  Cu43  1  0.716250  0.889444  0.365507  1
  Cu  Cu44  1  0.653053  0.216158  0.379028  1
  Cu  Cu45  1  0.986386  0.882824  0.379028  1
  Cu  Cu46  1  0.714127  0.710155  0.389864  1
  Cu  Cu47  1  0.047460  0.376822  0.389864  1
  Cu  Cu48  1  0.171706  0.724469  0.363113  1
  Cu  Cu49  1  0.380794  0.043489  0.389864  1
  Cu  Cu50  1  0.505040  0.391136  0.363113  1
  Cu  Cu51  1  0.442622  0.717826  0.376637  1
  Cu  Cu52  1  0.838373  0.057802  0.363113  1
  Cu  Cu53  1  0.775956  0.384492  0.376637  1
  Cu  Cu54  1  0.109289  0.051159  0.376637  1
  Cu  Cu55  1  0.402696  0.521184  0.432478  1
  Cu  Cu56  1  0.736029  0.187851  0.432478  1
  Cu  Cu57  1  0.861673  0.535245  0.405694  1
  Cu  Cu58  1  0.069363  0.854517  0.432478  1
  Cu  Cu59  1  0.195007  0.201912  0.405694  1
  Cu  Cu60  1  0.132058  0.528159  0.419108  1
  Cu  Cu61  1  0.528340  0.868579  0.405694  1
  Cu  Cu62  1  0.465391  0.194826  0.419108  1
  Cu  Cu63  1  0.798724  0.861493  0.419108  1
  Cu  Cu64  1  0.525718  0.689151  0.430007  1
  Cu  Cu65  1  0.859051  0.355818  0.430007  1
  Cu  Cu66  1  0.984434  0.703145  0.403209  1
  Cu  Cu67  1  0.192385  0.022484  0.430007  1
  Cu  Cu68  1  0.317768  0.369812  0.403209  1
  Cu  Cu69  1  0.254850  0.696266  0.416637  1
  Cu  Cu70  1  0.651101  0.036479  0.403209  1
  Cu  Cu71  1  0.588183  0.362933  0.416637  1
  Cu  Cu72  1  0.921516  0.029599  0.416637  1
  Cu  Cu73  1  0.214645  0.499963  0.472607  1
  Cu  Cu74  1  0.547979  0.166630  0.472607  1
  Cu  Cu75  1  0.673438  0.514087  0.445848  1
  Cu  Cu76  1  0.881312  0.833297  0.472607  1
  Cu  Cu77  1  0.006771  0.180754  0.445848  1
  Cu  Cu78  1  0.944038  0.507010  0.459232  1
  Cu  Cu79  1  0.340104  0.847421  0.445848  1
  Cu  Cu80  1  0.277372  0.173677  0.459232  1
  Cu  Cu81  1  0.610705  0.840343  0.459232  1
  Cu  Cu82  1  0.337564  0.667946  0.470114  1
  Cu  Cu83  1  0.670897  0.334613  0.470114  1
  Cu  Cu84  1  0.796364  0.682027  0.443360  1
  Cu  Cu85  1  0.004231  1.001280  0.470114  1
  Cu  Cu86  1  0.129697  0.348694  0.443360  1
  Cu  Cu87  1  0.066906  0.675009  0.456737  1
  Cu  Cu88  1  0.463031  0.015361  0.443360  1
  Cu  Cu89  1  0.400239  0.341676  0.456737  1
  Cu  Cu90  1  0.733573  0.008343  0.456737  1
  Cu  Cu91  1  0.026540  0.478774  0.512728  1
  Cu  Cu92  1  0.359874  0.145440  0.512728  1
  Cu  Cu93  1  0.485300  0.492891  0.485975  1
  Cu  Cu94  1  0.693207  0.812107  0.512728  1
  Cu  Cu95  1  0.818634  0.159558  0.485975  1
  Cu  Cu96  1  0.755930  0.485824  0.499353  1
  Cu  Cu97  1  0.151967  0.826224  0.485975  1
  Cu  Cu98  1  0.089264  0.152491  0.499353  1
  Cu  Cu99  1  0.422597  0.819157  0.499353  1
  Cu  Cu100  1  0.149466  0.646749  0.510238  1
  Cu  Cu101  1  0.482799  0.313416  0.510238  1
  Cu  Cu102  1  0.608226  0.660867  0.483485  1
  Cu  Cu103  1  0.816133  0.980083  0.510238  1
  Cu  Cu104  1  0.941559  0.327533  0.483485  1
  Cu  Cu105  1  0.878836  0.653816  0.496861  1
  Cu  Cu106  1  0.274893  0.994200  0.483485  1
  Cu  Cu107  1  0.212169  0.320483  0.496861  1
  Cu  Cu108  1  0.545503  0.987150  0.496861  1
  Cu  Cu109  1  0.838402  0.457613  0.552854  1
  Cu  Cu110  1  0.171736  0.124280  0.552854  1
  Cu  Cu111  1  0.297202  0.471694  0.526099  1
  Cu  Cu112  1  0.505069  0.790946  0.552854  1
  Cu  Cu113  1  0.630536  0.138361  0.526099  1
  Cu  Cu114  1  0.567861  0.464631  0.539477  1
  Cu  Cu115  1  0.963869  0.805027  0.526099  1
  Cu  Cu116  1  0.901194  0.131298  0.539477  1
  Cu  Cu117  1  0.234527  0.797964  0.539477  1
  Cu  Cu118  1  0.961329  0.625553  0.550366  1
  Cu  Cu119  1  0.294662  0.292220  0.550366  1
  Cu  Cu120  1  0.420121  0.639677  0.523606  1
  Cu  Cu121  1  0.627995  0.958886  0.550366  1
  Cu  Cu122  1  0.753454  0.306344  0.523606  1
  Cu  Cu123  1  0.690728  0.632630  0.536981  1
  Cu  Cu124  1  0.086788  0.973010  0.523606  1
  Cu  Cu125  1  0.024062  0.299297  0.536981  1
  Cu  Cu126  1  0.357395  0.965964  0.536981  1
  Cu  Cu127  1  0.650332  0.436495  0.593004  1
  Cu  Cu128  1  0.983665  0.103162  0.593004  1
  Cu  Cu129  1  0.109048  0.450489  0.566206  1
  Cu  Cu130  1  0.316999  0.769828  0.593004  1
  Cu  Cu131  1  0.442382  0.117156  0.566206  1
  Cu  Cu132  1  0.379917  0.443374  0.579576  1
  Cu  Cu133  1  0.775715  0.783823  0.566206  1
  Cu  Cu134  1  0.713250  0.110041  0.579576  1
  Cu  Cu135  1  0.046583  0.776708  0.579576  1
  Cu  Cu136  1  0.773093  0.604395  0.590519  1
  Cu  Cu137  1  0.106426  0.271062  0.590519  1
  Cu  Cu138  1  0.232070  0.618456  0.563735  1
  Cu  Cu139  1  0.439760  0.937728  0.590519  1
  Cu  Cu140  1  0.565404  0.285123  0.563735  1
  Cu  Cu141  1  0.502709  0.611481  0.577105  1
  Cu  Cu142  1  0.898737  0.951790  0.563735  1
  Cu  Cu143  1  0.836042  0.278148  0.577105  1
  Cu  Cu144  1  0.169375  0.944814  0.577105  1
  Cu  Cu145  1  0.463060  0.415171  0.633100  1
  Cu  Cu146  1  0.796393  0.081838  0.633100  1
  Cu  Cu147  1  0.920639  0.429485  0.606350  1
  Cu  Cu148  1  0.129727  0.748505  0.633100  1
  Cu  Cu149  1  0.253973  0.096152  0.606350  1
  Cu  Cu150  1  0.192144  0.421815  0.619576  1
  Cu  Cu151  1  0.587306  0.762818  0.606350  1
  Cu  Cu152  1  0.525477  0.088481  0.619576  1
  Cu  Cu153  1  0.858811  0.755148  0.619576  1
  Cu  Cu154  1  0.585183  0.583530  0.630707  1
  Cu  Cu155  1  0.918517  0.250196  0.630707  1
  Cu  Cu156  1  0.043855  0.597160  0.603852  1
  Cu  Cu157  1  0.251850  0.916863  0.630707  1
  Cu  Cu158  1  0.377188  0.263827  0.603852  1
  Cu  Cu159  1  0.315047  0.590149  0.617185  1
  Cu  Cu160  1  0.710521  0.930494  0.603852  1
  Cu  Cu161  1  0.648380  0.256816  0.617185  1
  Cu  Cu162  1  0.981714  0.923483  0.617185  1
  Cu  Cu163  1  0.275879  0.392829  0.672495  1
  Cu  Cu164  1  0.609212  0.059496  0.672495  1
  Cu  Cu165  1  0.731751  0.408495  0.646572  1
  Cu  Cu166  1  0.942546  0.726163  0.672495  1
  Cu  Cu167  1  0.065084  0.075162  0.646572  1
  Cu  Cu168  1  1.003320  0.401376  0.659433  1
  Cu  Cu169  1  0.398417  0.741828  0.646572  1
  Cu  Cu170  1  0.336653  0.068043  0.659433  1
  Cu  Cu171  1  0.669987  0.734709  0.659433  1
  Cu  Cu172  1  0.397831  0.562929  0.670323  1
  Cu  Cu173  1  0.731164  0.229596  0.670323  1
  Cu  Cu174  1  0.855007  0.575837  0.644168  1
  Cu  Cu175  1  0.064497  0.896262  0.670323  1
  Cu  Cu176  1  0.188340  0.242504  0.644168  1
  Cu  Cu177  1  0.127158  0.568383  0.656843  1
  Cu  Cu178  1  0.521674  0.909171  0.644168  1
  Cu  Cu179  1  0.460491  0.235050  0.656843  1
  Cu  Cu180  1  0.793824  0.901716  0.656843  1
  Cu  Cu181  1  0.089231  0.373523  0.710877  1
  Cu  Cu182  1  0.422564  0.040189  0.710877  1
  Cu  Cu183  1  0.541408  0.388015  0.686741  1
  Cu  Cu184  1  0.755898  0.706856  0.710877  1
  Cu  Cu185  1  0.874742  0.054682  0.686741  1
  Cu  Cu186  1  0.816043  0.379739  0.698898  1
  Cu  Cu187  1  0.208075  0.721348  0.686741  1
  Cu  Cu188  1  0.149377  0.046406  0.698898  1
  Cu  Cu189  1  0.482710  0.713073  0.698898  1
  Cu  Cu190  1  0.211187  0.539408  0.708486  1
  Cu  Cu191  1  0.544520  0.206075  0.708486  1
  Cu  Cu192  1  0.667558  0.554553  0.684065  1
  Cu  Cu193  1  0.877853  0.872742  0.708486  1
  Cu  Cu194  1  1.000892  0.221220  0.684065  1
  Cu  Cu195  1  0.940090  0.548297  0.696931  1
  Cu  Cu196  1  0.334225  0.887887  0.684065  1
  Cu  Cu197  1  0.273424  0.214964  0.696931  1
  Cu  Cu198  1  0.606757  0.881631  0.696931  1
