# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.14436206
_cell_length_b   12.67939477
_cell_length_c   45.72841648
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.00713551
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu198
_cell_volume   5250.47352094
_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  0.967237  0.585072  0.312134  1
  Cu  Cu2  1  0.300570  0.251739  0.312134  1
  Cu  Cu3  1  0.423592  0.600222  0.287713  1
  Cu  Cu4  1  0.633903  0.918406  0.312134  1
  Cu  Cu5  1  0.756925  0.266889  0.287713  1
  Cu  Cu6  1  0.694701  0.591330  0.299268  1
  Cu  Cu7  1  0.090258  0.933556  0.287713  1
  Cu  Cu8  1  0.028034  0.257997  0.299268  1
  Cu  Cu9  1  0.361368  0.924663  0.299268  1
  Cu  Cu10  1  0.093398  0.751612  0.309455  1
  Cu  Cu11  1  0.426732  0.418278  0.309455  1
  Cu  Cu12  1  0.545564  0.766104  0.285321  1
  Cu  Cu13  1  0.760065  0.084945  0.309455  1
  Cu  Cu14  1  0.878897  0.432771  0.285321  1
  Cu  Cu15  1  0.818761  0.759888  0.297299  1
  Cu  Cu16  1  0.212230  0.099438  0.285321  1
  Cu  Cu17  1  0.152094  0.426555  0.297299  1
  Cu  Cu18  1  0.485427  0.093222  0.297299  1
  Cu  Cu19  1  0.779788  0.563787  0.352031  1
  Cu  Cu20  1  0.113121  0.230454  0.352031  1
  Cu  Cu21  1  0.236962  0.576696  0.325876  1
  Cu  Cu22  1  0.446455  0.897121  0.352031  1
  Cu  Cu23  1  0.570296  0.243362  0.325876  1
  Cu  Cu24  1  0.507636  0.571242  0.339355  1
  Cu  Cu25  1  0.903629  0.910029  0.325876  1
  Cu  Cu26  1  0.840969  0.237908  0.339355  1
  Cu  Cu27  1  0.174303  0.904575  0.339355  1
  Cu  Cu28  1  0.903056  0.731130  0.349625  1
  Cu  Cu29  1  0.236389  0.397796  0.349625  1
  Cu  Cu30  1  0.358925  0.746798  0.323703  1
  Cu  Cu31  1  0.569722  0.064463  0.349625  1
  Cu  Cu32  1  0.692259  0.413464  0.323703  1
  Cu  Cu33  1  0.631485  0.738250  0.336763  1
  Cu  Cu34  1  0.025592  0.080131  0.323703  1
  Cu  Cu35  1  0.964818  0.404917  0.336763  1
  Cu  Cu36  1  0.298151  0.071584  0.336763  1
  Cu  Cu37  1  0.590943  0.542461  0.392347  1
  Cu  Cu38  1  0.924276  0.209128  0.392347  1
  Cu  Cu39  1  0.049612  0.556093  0.365492  1
  Cu  Cu40  1  0.257609  0.875795  0.392347  1
  Cu  Cu41  1  0.382945  0.222760  0.365492  1
  Cu  Cu42  1  0.319750  0.549473  0.379014  1
  Cu  Cu43  1  0.716278  0.889427  0.365492  1
  Cu  Cu44  1  0.653083  0.216140  0.379014  1
  Cu  Cu45  1  0.986416  0.882806  0.379014  1
  Cu  Cu46  1  0.714168  0.710138  0.389847  1
  Cu  Cu47  1  0.047502  0.376805  0.389847  1
  Cu  Cu48  1  0.171745  0.724453  0.363097  1
  Cu  Cu49  1  0.380835  0.043471  0.389847  1
  Cu  Cu50  1  0.505079  0.391120  0.363097  1
  Cu  Cu51  1  0.442663  0.717809  0.376621  1
  Cu  Cu52  1  0.838412  0.057786  0.363097  1
  Cu  Cu53  1  0.775997  0.384476  0.376621  1
  Cu  Cu54  1  0.109330  0.051142  0.376621  1
  Cu  Cu55  1  0.402729  0.521163  0.432464  1
  Cu  Cu56  1  0.736063  0.187830  0.432464  1
  Cu  Cu57  1  0.861705  0.535226  0.405680  1
  Cu  Cu58  1  0.069396  0.854496  0.432464  1
  Cu  Cu59  1  0.195038  0.201893  0.405680  1
  Cu  Cu60  1  0.132090  0.528139  0.419093  1
  Cu  Cu61  1  0.528372  0.868559  0.405680  1
  Cu  Cu62  1  0.465423  0.194806  0.419093  1
  Cu  Cu63  1  0.798757  0.861472  0.419093  1
  Cu  Cu64  1  0.525762  0.689131  0.429991  1
  Cu  Cu65  1  0.859095  0.355798  0.429991  1
  Cu  Cu66  1  0.984476  0.703127  0.403193  1
  Cu  Cu67  1  0.192428  0.022464  0.429991  1
  Cu  Cu68  1  0.317809  0.369794  0.403193  1
  Cu  Cu69  1  0.254892  0.696247  0.416620  1
  Cu  Cu70  1  0.651143  0.036460  0.403193  1
  Cu  Cu71  1  0.588226  0.362914  0.416620  1
  Cu  Cu72  1  0.921559  0.029580  0.416620  1
  Cu  Cu73  1  0.214681  0.499940  0.472592  1
  Cu  Cu74  1  0.548014  0.166607  0.472592  1
  Cu  Cu75  1  0.673472  0.514065  0.445833  1
  Cu  Cu76  1  0.881347  0.833273  0.472592  1
  Cu  Cu77  1  0.006805  0.180732  0.445833  1
  Cu  Cu78  1  0.944073  0.506987  0.459217  1
  Cu  Cu79  1  0.340138  0.847399  0.445833  1
  Cu  Cu80  1  0.277406  0.173654  0.459217  1
  Cu  Cu81  1  0.610739  0.840321  0.459217  1
  Cu  Cu82  1  0.337610  0.667924  0.470097  1
  Cu  Cu83  1  0.670943  0.334591  0.470097  1
  Cu  Cu84  1  0.796408  0.682007  0.443343  1
  Cu  Cu85  1  0.004276  1.001257  0.470097  1
  Cu  Cu86  1  0.129742  0.348673  0.443343  1
  Cu  Cu87  1  0.066951  0.674988  0.456720  1
  Cu  Cu88  1  0.463075  0.015340  0.443343  1
  Cu  Cu89  1  0.400284  0.341654  0.456720  1
  Cu  Cu90  1  0.733617  0.008321  0.456720  1
  Cu  Cu91  1  0.026578  0.478748  0.512713  1
  Cu  Cu92  1  0.359911  0.145415  0.512713  1
  Cu  Cu93  1  0.485336  0.492867  0.485960  1
  Cu  Cu94  1  0.693244  0.812081  0.512713  1
  Cu  Cu95  1  0.818670  0.159533  0.485960  1
  Cu  Cu96  1  0.755967  0.485799  0.499338  1
  Cu  Cu97  1  0.152003  0.826200  0.485960  1
  Cu  Cu98  1  0.089300  0.152466  0.499338  1
  Cu  Cu99  1  0.422634  0.819132  0.499338  1
  Cu  Cu100  1  0.149514  0.646725  0.510221  1
  Cu  Cu101  1  0.482847  0.313392  0.510221  1
  Cu  Cu102  1  0.608273  0.660844  0.483469  1
  Cu  Cu103  1  0.816180  0.980058  0.510221  1
  Cu  Cu104  1  0.941606  0.327510  0.483469  1
  Cu  Cu105  1  0.878883  0.653792  0.496844  1
  Cu  Cu106  1  0.274939  0.994177  0.483469  1
  Cu  Cu107  1  0.212216  0.320459  0.496844  1
  Cu  Cu108  1  0.545550  0.987126  0.496844  1
  Cu  Cu109  1  0.838442  0.457585  0.552839  1
  Cu  Cu110  1  0.171775  0.124252  0.552839  1
  Cu  Cu111  1  0.297240  0.471668  0.526084  1
  Cu  Cu112  1  0.505109  0.790918  0.552839  1
  Cu  Cu113  1  0.630574  0.138334  0.526084  1
  Cu  Cu114  1  0.567899  0.464604  0.539461  1
  Cu  Cu115  1  0.963907  0.805001  0.526084  1
  Cu  Cu116  1  0.901233  0.131270  0.539461  1
  Cu  Cu117  1  0.234566  0.797937  0.539461  1
  Cu  Cu118  1  0.961379  0.625526  0.550349  1
  Cu  Cu119  1  0.294712  0.292193  0.550349  1
  Cu  Cu120  1  0.420169  0.639652  0.523589  1
  Cu  Cu121  1  0.628045  0.958860  0.550349  1
  Cu  Cu122  1  0.753503  0.306318  0.523589  1
  Cu  Cu123  1  0.690777  0.632604  0.536964  1
  Cu  Cu124  1  0.086836  0.972985  0.523589  1
  Cu  Cu125  1  0.024111  0.299271  0.536964  1
  Cu  Cu126  1  0.357444  0.965938  0.536964  1
  Cu  Cu127  1  0.650374  0.436465  0.592989  1
  Cu  Cu128  1  0.983707  0.103131  0.592989  1
  Cu  Cu129  1  0.109088  0.450460  0.566191  1
  Cu  Cu130  1  0.317041  0.769798  0.592989  1
  Cu  Cu131  1  0.442422  0.117127  0.566191  1
  Cu  Cu132  1  0.379958  0.443345  0.579561  1
  Cu  Cu133  1  0.775755  0.783794  0.566191  1
  Cu  Cu134  1  0.713291  0.110011  0.579561  1
  Cu  Cu135  1  0.046624  0.776678  0.579561  1
  Cu  Cu136  1  0.773145  0.604366  0.590502  1
  Cu  Cu137  1  0.106479  0.271032  0.590502  1
  Cu  Cu138  1  0.232121  0.618429  0.563718  1
  Cu  Cu139  1  0.439812  0.937699  0.590502  1
  Cu  Cu140  1  0.565454  0.285095  0.563718  1
  Cu  Cu141  1  0.502760  0.611452  0.577088  1
  Cu  Cu142  1  0.898788  0.951762  0.563718  1
  Cu  Cu143  1  0.836093  0.278119  0.577088  1
  Cu  Cu144  1  0.169427  0.944786  0.577088  1
  Cu  Cu145  1  0.463105  0.415138  0.633085  1
  Cu  Cu146  1  0.796438  0.081805  0.633085  1
  Cu  Cu147  1  0.920682  0.429454  0.606334  1
  Cu  Cu148  1  0.129771  0.748472  0.633085  1
  Cu  Cu149  1  0.254015  0.096120  0.606334  1
  Cu  Cu150  1  0.192187  0.421783  0.619560  1
  Cu  Cu151  1  0.587348  0.762787  0.606334  1
  Cu  Cu152  1  0.525520  0.088449  0.619560  1
  Cu  Cu153  1  0.858853  0.755116  0.619560  1
  Cu  Cu154  1  0.585238  0.583498  0.630689  1
  Cu  Cu155  1  0.918572  0.250165  0.630689  1
  Cu  Cu156  1  0.043907  0.597130  0.603834  1
  Cu  Cu157  1  0.251905  0.916832  0.630689  1
  Cu  Cu158  1  0.377241  0.263797  0.603834  1
  Cu  Cu159  1  0.315100  0.590119  0.617168  1
  Cu  Cu160  1  0.710574  0.930464  0.603834  1
  Cu  Cu161  1  0.648434  0.256785  0.617168  1
  Cu  Cu162  1  0.981767  0.923452  0.617168  1
  Cu  Cu163  1  0.275925  0.392794  0.672478  1
  Cu  Cu164  1  0.609258  0.059461  0.672478  1
  Cu  Cu165  1  0.731795  0.408462  0.646557  1
  Cu  Cu166  1  0.942591  0.726127  0.672478  1
  Cu  Cu167  1  0.065128  0.075129  0.646557  1
  Cu  Cu168  1  1.003365  0.401341  0.659418  1
  Cu  Cu169  1  0.398461  0.741795  0.646557  1
  Cu  Cu170  1  0.336699  0.068008  0.659418  1
  Cu  Cu171  1  0.670032  0.734675  0.659418  1
  Cu  Cu172  1  0.397888  0.562896  0.670305  1
  Cu  Cu173  1  0.731221  0.229563  0.670305  1
  Cu  Cu174  1  0.855062  0.575804  0.644151  1
  Cu  Cu175  1  0.064554  0.896229  0.670305  1
  Cu  Cu176  1  0.188395  0.242471  0.644151  1
  Cu  Cu177  1  0.127214  0.568350  0.656826  1
  Cu  Cu178  1  0.521729  0.909137  0.644151  1
  Cu  Cu179  1  0.460547  0.235017  0.656826  1
  Cu  Cu180  1  0.793881  0.901683  0.656826  1
  Cu  Cu181  1  0.089286  0.373487  0.710861  1
  Cu  Cu182  1  0.422620  0.040154  0.710861  1
  Cu  Cu183  1  0.541452  0.387980  0.686726  1
  Cu  Cu184  1  0.755953  0.706821  0.710861  1
  Cu  Cu185  1  0.874785  0.054647  0.686726  1
  Cu  Cu186  1  0.816089  0.379703  0.698882  1
  Cu  Cu187  1  0.208118  0.721313  0.686726  1
  Cu  Cu188  1  0.149423  0.046370  0.698882  1
  Cu  Cu189  1  0.482756  0.713037  0.698882  1
  Cu  Cu190  1  0.211258  0.539369  0.708468  1
  Cu  Cu191  1  0.544592  0.206036  0.708468  1
  Cu  Cu192  1  0.667614  0.554519  0.684048  1
  Cu  Cu193  1  0.877925  0.872703  0.708468  1
  Cu  Cu194  1  1.000947  0.221186  0.684048  1
  Cu  Cu195  1  0.940149  0.548262  0.696913  1
  Cu  Cu196  1  0.334280  0.887853  0.684048  1
  Cu  Cu197  1  0.273482  0.214928  0.696913  1
  Cu  Cu198  1  0.606816  0.881595  0.696913  1
