# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.41916189
_cell_length_b   13.41280678
_cell_length_c   46.80393485
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.10589489
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu324
_cell_volume   8402.55459813
_cell_formula_units_Z   324
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  0.258544  0.805033  0.319616  1
  Cu  Cu2  1  0.239120  0.517847  0.287119  1
  Cu  Cu3  1  0.416695  0.494401  0.302194  1
  Cu  Cu4  1  0.591877  0.471700  0.319616  1
  Cu  Cu5  1  0.250028  0.161067  0.302194  1
  Cu  Cu6  1  0.425210  0.138366  0.319616  1
  Cu  Cu7  1  0.405786  0.851180  0.287119  1
  Cu  Cu8  1  0.583361  0.827734  0.302194  1
  Cu  Cu9  1  0.758544  0.805033  0.319616  1
  Cu  Cu10  1  0.739120  0.517847  0.287119  1
  Cu  Cu11  1  0.916695  0.494401  0.302194  1
  Cu  Cu12  1  0.091877  0.471700  0.319616  1
  Cu  Cu13  1  0.572453  0.184513  0.287119  1
  Cu  Cu14  1  0.750028  0.161067  0.302194  1
  Cu  Cu15  1  0.925210  0.138366  0.319616  1
  Cu  Cu16  1  0.905786  0.851180  0.287119  1
  Cu  Cu17  1  0.083361  0.827734  0.302194  1
  Cu  Cu18  1  0.072453  0.184513  0.287119  1
  Cu  Cu19  1  0.288203  0.699937  0.277643  1
  Cu  Cu20  1  0.296700  0.342126  0.292501  1
  Cu  Cu21  1  0.472219  0.318644  0.308364  1
  Cu  Cu22  1  0.621536  0.366604  0.277643  1
  Cu  Cu23  1  0.305552  0.985311  0.308364  1
  Cu  Cu24  1  0.454870  0.033270  0.277643  1
  Cu  Cu25  1  0.463366  0.675460  0.292501  1
  Cu  Cu26  1  0.638885  0.651977  0.308364  1
  Cu  Cu27  1  0.788203  0.699937  0.277643  1
  Cu  Cu28  1  0.796700  0.342126  0.292501  1
  Cu  Cu29  1  0.972219  0.318644  0.308364  1
  Cu  Cu30  1  0.121536  0.366604  0.277643  1
  Cu  Cu31  1  0.630033  0.008793  0.292501  1
  Cu  Cu32  1  0.805552  0.985311  0.308364  1
  Cu  Cu33  1  0.954870  0.033270  0.277643  1
  Cu  Cu34  1  0.963366  0.675460  0.292501  1
  Cu  Cu35  1  0.138885  0.651977  0.308364  1
  Cu  Cu36  1  0.130033  0.008793  0.292501  1
  Cu  Cu37  1  0.289221  0.735173  0.369358  1
  Cu  Cu38  1  0.269325  0.447780  0.335882  1
  Cu  Cu39  1  0.445379  0.424551  0.352354  1
  Cu  Cu40  1  0.622554  0.401840  0.369358  1
  Cu  Cu41  1  0.278713  0.091218  0.352354  1
  Cu  Cu42  1  0.455887  0.068507  0.369358  1
  Cu  Cu43  1  0.435991  0.781113  0.335882  1
  Cu  Cu44  1  0.612046  0.757885  0.352354  1
  Cu  Cu45  1  0.789221  0.735173  0.369358  1
  Cu  Cu46  1  0.769325  0.447780  0.335882  1
  Cu  Cu47  1  0.945379  0.424551  0.352354  1
  Cu  Cu48  1  0.122554  0.401840  0.369358  1
  Cu  Cu49  1  0.602658  0.114446  0.335882  1
  Cu  Cu50  1  0.778713  0.091218  0.352354  1
  Cu  Cu51  1  0.955887  0.068507  0.369358  1
  Cu  Cu52  1  0.935991  0.781113  0.335882  1
  Cu  Cu53  1  0.112046  0.757885  0.352354  1
  Cu  Cu54  1  0.102658  0.114446  0.335882  1
  Cu  Cu55  1  0.317216  0.629384  0.325685  1
  Cu  Cu56  1  0.326516  0.272964  0.341932  1
  Cu  Cu57  1  0.503790  0.250285  0.358328  1
  Cu  Cu58  1  0.650549  0.296051  0.325685  1
  Cu  Cu59  1  0.337123  0.916952  0.358328  1
  Cu  Cu60  1  0.483883  0.962717  0.325685  1
  Cu  Cu61  1  0.493182  0.606298  0.341932  1
  Cu  Cu62  1  0.670457  0.583618  0.358328  1
  Cu  Cu63  1  0.817216  0.629384  0.325685  1
  Cu  Cu64  1  0.826516  0.272964  0.341932  1
  Cu  Cu65  1  1.003790  0.250285  0.358328  1
  Cu  Cu66  1  0.150549  0.296051  0.325685  1
  Cu  Cu67  1  0.659849  0.939631  0.341932  1
  Cu  Cu68  1  0.837123  0.916952  0.358328  1
  Cu  Cu69  1  0.983883  0.962717  0.325685  1
  Cu  Cu70  1  0.993182  0.606298  0.341932  1
  Cu  Cu71  1  0.170457  0.583618  0.358328  1
  Cu  Cu72  1  0.159849  0.939631  0.341932  1
  Cu  Cu73  1  0.319814  0.665465  0.419499  1
  Cu  Cu74  1  0.299345  0.378309  0.386053  1
  Cu  Cu75  1  0.476195  0.355235  0.402683  1
  Cu  Cu76  1  0.653147  0.332132  0.419499  1
  Cu  Cu77  1  0.309528  0.021902  0.402683  1
  Cu  Cu78  1  0.486480  0.998798  0.419499  1
  Cu  Cu79  1  0.466011  0.711643  0.386053  1
  Cu  Cu80  1  0.642861  0.688568  0.402683  1
  Cu  Cu81  1  0.819814  0.665465  0.419499  1
  Cu  Cu82  1  0.799345  0.378309  0.386053  1
  Cu  Cu83  1  0.976195  0.355235  0.402683  1
  Cu  Cu84  1  0.153147  0.332132  0.419499  1
  Cu  Cu85  1  0.632678  0.044976  0.386053  1
  Cu  Cu86  1  0.809528  0.021902  0.402683  1
  Cu  Cu87  1  0.986480  0.998798  0.419499  1
  Cu  Cu88  1  0.966011  0.711643  0.386053  1
  Cu  Cu89  1  0.142861  0.688568  0.402683  1
  Cu  Cu90  1  0.132678  0.044976  0.386053  1
  Cu  Cu91  1  0.347111  0.559870  0.375263  1
  Cu  Cu92  1  0.357347  0.203535  0.391786  1
  Cu  Cu93  1  0.534173  0.180654  0.408541  1
  Cu  Cu94  1  0.680444  0.226537  0.375263  1
  Cu  Cu95  1  0.367507  0.847320  0.408541  1
  Cu  Cu96  1  0.513778  0.893203  0.375263  1
  Cu  Cu97  1  0.524013  0.536868  0.391786  1
  Cu  Cu98  1  0.700840  0.513987  0.408541  1
  Cu  Cu99  1  0.847111  0.559870  0.375263  1
  Cu  Cu100  1  0.857347  0.203535  0.391786  1
  Cu  Cu101  1  0.034173  0.180654  0.408541  1
  Cu  Cu102  1  0.180444  0.226537  0.375263  1
  Cu  Cu103  1  0.690680  0.870201  0.391786  1
  Cu  Cu104  1  0.867507  0.847320  0.408541  1
  Cu  Cu105  1  0.013778  0.893203  0.375263  1
  Cu  Cu106  1  0.024013  0.536868  0.391786  1
  Cu  Cu107  1  0.200840  0.513987  0.408541  1
  Cu  Cu108  1  0.190680  0.870201  0.391786  1
  Cu  Cu109  1  0.350605  0.596025  0.469633  1
  Cu  Cu110  1  0.330107  0.308889  0.436182  1
  Cu  Cu111  1  0.506984  0.285825  0.452903  1
  Cu  Cu112  1  0.683938  0.262692  0.469633  1
  Cu  Cu113  1  0.340318  0.952491  0.452903  1
  Cu  Cu114  1  0.517272  0.929358  0.469633  1
  Cu  Cu115  1  0.496774  0.642222  0.436182  1
  Cu  Cu116  1  0.673651  0.619158  0.452903  1
  Cu  Cu117  1  0.850605  0.596025  0.469633  1
  Cu  Cu118  1  0.830107  0.308889  0.436182  1
  Cu  Cu119  1  0.006984  0.285825  0.452903  1
  Cu  Cu120  1  0.183938  0.262692  0.469633  1
  Cu  Cu121  1  0.663441  0.975555  0.436182  1
  Cu  Cu122  1  0.840318  0.952491  0.452903  1
  Cu  Cu123  1  0.017272  0.929358  0.469633  1
  Cu  Cu124  1  0.996774  0.642222  0.436182  1
  Cu  Cu125  1  0.173651  0.619158  0.452903  1
  Cu  Cu126  1  0.163441  0.975555  0.436182  1
  Cu  Cu127  1  0.377792  0.490710  0.425281  1
  Cu  Cu128  1  0.387998  0.134273  0.441942  1
  Cu  Cu129  1  0.564935  0.111190  0.458669  1
  Cu  Cu130  1  0.711125  0.157376  0.425281  1
  Cu  Cu131  1  0.398268  0.777857  0.458669  1
  Cu  Cu132  1  0.544458  0.824043  0.425281  1
  Cu  Cu133  1  0.554665  0.467607  0.441942  1
  Cu  Cu134  1  0.731602  0.444523  0.458669  1
  Cu  Cu135  1  0.877792  0.490710  0.425281  1
  Cu  Cu136  1  0.887998  0.134273  0.441942  1
  Cu  Cu137  1  0.064935  0.111190  0.458669  1
  Cu  Cu138  1  0.211125  0.157376  0.425281  1
  Cu  Cu139  1  0.721331  0.800940  0.441942  1
  Cu  Cu140  1  0.898268  0.777857  0.458669  1
  Cu  Cu141  1  0.044458  0.824043  0.425281  1
  Cu  Cu142  1  0.054665  0.467607  0.441942  1
  Cu  Cu143  1  0.231602  0.444523  0.458669  1
  Cu  Cu144  1  0.221331  0.800940  0.441942  1
  Cu  Cu145  1  0.381394  0.526640  0.519763  1
  Cu  Cu146  1  0.360863  0.239527  0.486336  1
  Cu  Cu147  1  0.537791  0.216418  0.503058  1
  Cu  Cu148  1  0.714727  0.193307  0.519763  1
  Cu  Cu149  1  0.371124  0.883085  0.503058  1
  Cu  Cu150  1  0.548061  0.859974  0.519763  1
  Cu  Cu151  1  0.527529  0.572860  0.486336  1
  Cu  Cu152  1  0.704457  0.549752  0.503058  1
  Cu  Cu153  1  0.881394  0.526640  0.519763  1
  Cu  Cu154  1  0.860863  0.239527  0.486336  1
  Cu  Cu155  1  0.037791  0.216418  0.503058  1
  Cu  Cu156  1  0.214727  0.193307  0.519763  1
  Cu  Cu157  1  0.694196  0.906193  0.486336  1
  Cu  Cu158  1  0.871124  0.883085  0.503058  1
  Cu  Cu159  1  0.048061  0.859974  0.519763  1
  Cu  Cu160  1  0.027529  0.572860  0.486336  1
  Cu  Cu161  1  0.204457  0.549752  0.503058  1
  Cu  Cu162  1  0.194196  0.906193  0.486336  1
  Cu  Cu163  1  0.408517  0.421359  0.475385  1
  Cu  Cu164  1  0.418787  0.064915  0.492090  1
  Cu  Cu165  1  0.595716  0.041807  0.508812  1
  Cu  Cu166  1  0.741851  0.088026  0.475385  1
  Cu  Cu167  1  0.429049  0.708473  0.508812  1
  Cu  Cu168  1  0.575184  0.754693  0.475385  1
  Cu  Cu169  1  0.585454  0.398248  0.492090  1
  Cu  Cu170  1  0.762382  0.375140  0.508812  1
  Cu  Cu171  1  0.908517  0.421359  0.475385  1
  Cu  Cu172  1  0.918787  0.064915  0.492090  1
  Cu  Cu173  1  0.095716  0.041807  0.508812  1
  Cu  Cu174  1  0.241851  0.088026  0.475385  1
  Cu  Cu175  1  0.752121  0.731581  0.492090  1
  Cu  Cu176  1  0.929049  0.708473  0.508812  1
  Cu  Cu177  1  0.075184  0.754693  0.475385  1
  Cu  Cu178  1  0.085454  0.398248  0.492090  1
  Cu  Cu179  1  0.262382  0.375140  0.508812  1
  Cu  Cu180  1  0.252121  0.731581  0.492090  1
  Cu  Cu181  1  0.412120  0.457290  0.569866  1
  Cu  Cu182  1  0.391643  0.170143  0.536478  1
  Cu  Cu183  1  0.568580  0.147060  0.553205  1
  Cu  Cu184  1  0.745453  0.123957  0.569866  1
  Cu  Cu185  1  0.401913  0.813726  0.553205  1
  Cu  Cu186  1  0.578786  0.790624  0.569866  1
  Cu  Cu187  1  0.558310  0.503476  0.536478  1
  Cu  Cu188  1  0.735247  0.480393  0.553205  1
  Cu  Cu189  1  0.912120  0.457290  0.569866  1
  Cu  Cu190  1  0.891643  0.170143  0.536478  1
  Cu  Cu191  1  0.068580  0.147060  0.553205  1
  Cu  Cu192  1  0.245453  0.123957  0.569866  1
  Cu  Cu193  1  0.724977  0.836810  0.536478  1
  Cu  Cu194  1  0.901913  0.813726  0.553205  1
  Cu  Cu195  1  0.078786  0.790624  0.569866  1
  Cu  Cu196  1  0.058310  0.503476  0.536478  1
  Cu  Cu197  1  0.235247  0.480393  0.553205  1
  Cu  Cu198  1  0.224977  0.836810  0.536478  1
  Cu  Cu199  1  0.439306  0.351975  0.525515  1
  Cu  Cu200  1  0.449594  0.995509  0.542244  1
  Cu  Cu201  1  0.626471  0.972444  0.558966  1
  Cu  Cu202  1  0.772640  0.018642  0.525515  1
  Cu  Cu203  1  0.459804  0.639111  0.558966  1
  Cu  Cu204  1  0.605973  0.685308  0.525515  1
  Cu  Cu205  1  0.616260  0.328842  0.542244  1
  Cu  Cu206  1  0.793137  0.305778  0.558966  1
  Cu  Cu207  1  0.939306  0.351975  0.525515  1
  Cu  Cu208  1  0.949594  0.995509  0.542244  1
  Cu  Cu209  1  0.126471  0.972444  0.558966  1
  Cu  Cu210  1  0.272640  0.018642  0.525515  1
  Cu  Cu211  1  0.782927  0.662175  0.542244  1
  Cu  Cu212  1  0.959804  0.639111  0.558966  1
  Cu  Cu213  1  0.105973  0.685308  0.525515  1
  Cu  Cu214  1  0.116260  0.328842  0.542244  1
  Cu  Cu215  1  0.293137  0.305778  0.558966  1
  Cu  Cu216  1  0.282927  0.662175  0.542244  1
  Cu  Cu217  1  0.442800  0.388130  0.619885  1
  Cu  Cu218  1  0.422405  0.100679  0.586607  1
  Cu  Cu219  1  0.599231  0.077798  0.603362  1
  Cu  Cu220  1  0.776134  0.054796  0.619885  1
  Cu  Cu221  1  0.432565  0.744465  0.603362  1
  Cu  Cu222  1  0.609467  0.721463  0.619885  1
  Cu  Cu223  1  0.589071  0.434013  0.586607  1
  Cu  Cu224  1  0.765898  0.411132  0.603362  1
  Cu  Cu225  1  0.942800  0.388130  0.619885  1
  Cu  Cu226  1  0.922405  0.100679  0.586607  1
  Cu  Cu227  1  0.099231  0.077798  0.603362  1
  Cu  Cu228  1  0.276134  0.054796  0.619885  1
  Cu  Cu229  1  0.755738  0.767346  0.586607  1
  Cu  Cu230  1  0.932565  0.744465  0.603362  1
  Cu  Cu231  1  0.109467  0.721463  0.619885  1
  Cu  Cu232  1  0.089071  0.434013  0.586607  1
  Cu  Cu233  1  0.265898  0.411132  0.603362  1
  Cu  Cu234  1  0.255738  0.767346  0.586607  1
  Cu  Cu235  1  0.470098  0.282535  0.575649  1
  Cu  Cu236  1  0.480383  0.926098  0.592464  1
  Cu  Cu237  1  0.657233  0.903024  0.609094  1
  Cu  Cu238  1  0.803431  0.949201  0.575649  1
  Cu  Cu239  1  0.490567  0.569691  0.609094  1
  Cu  Cu240  1  0.636764  0.615868  0.575649  1
  Cu  Cu241  1  0.647050  0.259432  0.592464  1
  Cu  Cu242  1  0.823900  0.236357  0.609094  1
  Cu  Cu243  1  0.970098  0.282535  0.575649  1
  Cu  Cu244  1  0.980383  0.926098  0.592464  1
  Cu  Cu245  1  0.157233  0.903024  0.609094  1
  Cu  Cu246  1  0.303431  0.949201  0.575649  1
  Cu  Cu247  1  0.813717  0.592765  0.592464  1
  Cu  Cu248  1  0.990567  0.569691  0.609094  1
  Cu  Cu249  1  0.136764  0.615868  0.575649  1
  Cu  Cu250  1  0.147050  0.259432  0.592464  1
  Cu  Cu251  1  0.323900  0.236357  0.609094  1
  Cu  Cu252  1  0.313717  0.592765  0.592464  1
  Cu  Cu253  1  0.472695  0.318616  0.669463  1
  Cu  Cu254  1  0.452788  0.031048  0.636819  1
  Cu  Cu255  1  0.630062  0.008369  0.653216  1
  Cu  Cu256  1  0.806029  0.985282  0.669463  1
  Cu  Cu257  1  0.463396  0.675036  0.653216  1
  Cu  Cu258  1  0.639362  0.651949  0.669463  1
  Cu  Cu259  1  0.619455  0.364381  0.636819  1
  Cu  Cu260  1  0.796729  0.341702  0.653216  1
  Cu  Cu261  1  0.972695  0.318616  0.669463  1
  Cu  Cu262  1  0.952788  0.031048  0.636819  1
  Cu  Cu263  1  0.130062  0.008369  0.653216  1
  Cu  Cu264  1  0.306029  0.985282  0.669463  1
  Cu  Cu265  1  0.786121  0.697715  0.636819  1
  Cu  Cu266  1  0.963396  0.675036  0.653216  1
  Cu  Cu267  1  0.139362  0.651949  0.669463  1
  Cu  Cu268  1  0.119455  0.364381  0.636819  1
  Cu  Cu269  1  0.296729  0.341702  0.653216  1
  Cu  Cu270  1  0.286121  0.697715  0.636819  1
  Cu  Cu271  1  0.500691  0.212827  0.625790  1
  Cu  Cu272  1  0.511199  0.856782  0.642793  1
  Cu  Cu273  1  0.687254  0.833554  0.659266  1
  Cu  Cu274  1  0.834024  0.879493  0.625790  1
  Cu  Cu275  1  0.520587  0.500220  0.659266  1
  Cu  Cu276  1  0.667357  0.546160  0.625790  1
  Cu  Cu277  1  0.677865  0.190115  0.642793  1
  Cu  Cu278  1  0.853920  0.166887  0.659266  1
  Cu  Cu279  1  1.000691  0.212827  0.625790  1
  Cu  Cu280  1  0.011199  0.856782  0.642793  1
  Cu  Cu281  1  0.187254  0.833554  0.659266  1
  Cu  Cu282  1  0.334024  0.879493  0.625790  1
  Cu  Cu283  1  0.844532  0.523449  0.642793  1
  Cu  Cu284  1  0.020587  0.500220  0.659266  1
  Cu  Cu285  1  0.167357  0.546160  0.625790  1
  Cu  Cu286  1  0.177865  0.190115  0.642793  1
  Cu  Cu287  1  0.353920  0.166887  0.659266  1
  Cu  Cu288  1  0.344532  0.523449  0.642793  1
  Cu  Cu289  1  0.501708  0.248063  0.717505  1
  Cu  Cu290  1  0.484359  0.962689  0.686783  1
  Cu  Cu291  1  0.659878  0.939207  0.702646  1
  Cu  Cu292  1  0.835042  0.914729  0.717505  1
  Cu  Cu293  1  0.493212  0.605874  0.702646  1
  Cu  Cu294  1  0.668375  0.581396  0.717505  1
  Cu  Cu295  1  0.651026  0.296023  0.686783  1
  Cu  Cu296  1  0.826545  0.272540  0.702646  1
  Cu  Cu297  1  1.001708  0.248063  0.717505  1
  Cu  Cu298  1  0.984359  0.962689  0.686783  1
  Cu  Cu299  1  0.159878  0.939207  0.702646  1
  Cu  Cu300  1  0.335042  0.914729  0.717505  1
  Cu  Cu301  1  0.817693  0.629356  0.686783  1
  Cu  Cu302  1  0.993212  0.605874  0.702646  1
  Cu  Cu303  1  0.168375  0.581396  0.717505  1
  Cu  Cu304  1  0.151026  0.296023  0.686783  1
  Cu  Cu305  1  0.326545  0.272540  0.702646  1
  Cu  Cu306  1  0.317693  0.629356  0.686783  1
  Cu  Cu307  1  0.531368  0.142967  0.675532  1
  Cu  Cu308  1  0.539883  0.786933  0.692954  1
  Cu  Cu309  1  0.717458  0.763486  0.708029  1
  Cu  Cu310  1  0.864701  0.809634  0.675532  1
  Cu  Cu311  1  0.550792  0.430153  0.708029  1
  Cu  Cu312  1  0.698034  0.476300  0.675532  1
  Cu  Cu313  1  0.706550  0.120266  0.692954  1
  Cu  Cu314  1  0.884125  0.096820  0.708029  1
  Cu  Cu315  1  0.031368  0.142967  0.675532  1
  Cu  Cu316  1  0.039883  0.786933  0.692954  1
  Cu  Cu317  1  0.217458  0.763486  0.708029  1
  Cu  Cu318  1  0.364701  0.809634  0.675532  1
  Cu  Cu319  1  0.873217  0.453599  0.692954  1
  Cu  Cu320  1  0.050792  0.430153  0.708029  1
  Cu  Cu321  1  0.198034  0.476300  0.675532  1
  Cu  Cu322  1  0.206550  0.120266  0.692954  1
  Cu  Cu323  1  0.384125  0.096820  0.708029  1
  Cu  Cu324  1  0.373217  0.453599  0.692954  1
