# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.49925573
_cell_length_b   13.58389153
_cell_length_c   46.97518575
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.08251859
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu324
_cell_volume   8592.09628289
_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  0.248453  0.665555  0.303965  1
  Cu  Cu2  1  0.258193  0.309593  0.320220  1
  Cu  Cu3  1  0.405314  0.353379  0.288538  1
  Cu  Cu4  1  0.581786  0.332221  0.303965  1
  Cu  Cu5  1  0.238647  0.020046  0.288538  1
  Cu  Cu6  1  0.415120  0.998888  0.303965  1
  Cu  Cu7  1  0.424860  0.642926  0.320220  1
  Cu  Cu8  1  0.571981  0.686713  0.288538  1
  Cu  Cu9  1  0.748453  0.665555  0.303965  1
  Cu  Cu10  1  0.758193  0.309593  0.320220  1
  Cu  Cu11  1  0.905314  0.353379  0.288538  1
  Cu  Cu12  1  0.081786  0.332221  0.303965  1
  Cu  Cu13  1  0.591526  0.976259  0.320220  1
  Cu  Cu14  1  0.738647  0.020046  0.288538  1
  Cu  Cu15  1  0.915120  0.998888  0.303965  1
  Cu  Cu16  1  0.924860  0.642926  0.320220  1
  Cu  Cu17  1  0.071981  0.686713  0.288538  1
  Cu  Cu18  1  0.091526  0.976259  0.320220  1
  Cu  Cu19  1  0.298477  0.845994  0.294112  1
  Cu  Cu20  1  0.307223  0.490559  0.309609  1
  Cu  Cu21  1  0.457945  0.533445  0.278759  1
  Cu  Cu22  1  0.631810  0.512661  0.294112  1
  Cu  Cu23  1  0.291278  0.200111  0.278759  1
  Cu  Cu24  1  0.465143  0.179327  0.294112  1
  Cu  Cu25  1  0.473890  0.823892  0.309609  1
  Cu  Cu26  1  0.624612  0.866778  0.278759  1
  Cu  Cu27  1  0.798477  0.845994  0.294112  1
  Cu  Cu28  1  0.807223  0.490559  0.309609  1
  Cu  Cu29  1  0.957945  0.533445  0.278759  1
  Cu  Cu30  1  0.131810  0.512661  0.294112  1
  Cu  Cu31  1  0.640557  0.157226  0.309609  1
  Cu  Cu32  1  0.791278  0.200111  0.278759  1
  Cu  Cu33  1  0.965143  0.179327  0.294112  1
  Cu  Cu34  1  0.973890  0.823892  0.309609  1
  Cu  Cu35  1  0.124612  0.866778  0.278759  1
  Cu  Cu36  1  0.140557  0.157226  0.309609  1
  Cu  Cu37  1  0.279036  0.596320  0.353429  1
  Cu  Cu38  1  0.289006  0.240373  0.370384  1
  Cu  Cu39  1  0.435282  0.285549  0.336968  1
  Cu  Cu40  1  0.612370  0.262986  0.353429  1
  Cu  Cu41  1  0.268616  0.952216  0.336968  1
  Cu  Cu42  1  0.445703  0.929653  0.353429  1
  Cu  Cu43  1  0.455672  0.573706  0.370384  1
  Cu  Cu44  1  0.601949  0.618883  0.336968  1
  Cu  Cu45  1  0.779036  0.596320  0.353429  1
  Cu  Cu46  1  0.789006  0.240373  0.370384  1
  Cu  Cu47  1  0.935282  0.285549  0.336968  1
  Cu  Cu48  1  0.112370  0.262986  0.353429  1
  Cu  Cu49  1  0.622339  0.907040  0.370384  1
  Cu  Cu50  1  0.768616  0.952216  0.336968  1
  Cu  Cu51  1  0.945703  0.929653  0.353429  1
  Cu  Cu52  1  0.955672  0.573706  0.370384  1
  Cu  Cu53  1  0.101949  0.618883  0.336968  1
  Cu  Cu54  1  0.122339  0.907040  0.370384  1
  Cu  Cu55  1  0.327666  0.777830  0.342940  1
  Cu  Cu56  1  0.337326  0.421672  0.359326  1
  Cu  Cu57  1  0.484081  0.467453  0.326582  1
  Cu  Cu58  1  0.661000  0.444497  0.342940  1
  Cu  Cu59  1  0.317414  0.134120  0.326582  1
  Cu  Cu60  1  0.494333  0.111164  0.342940  1
  Cu  Cu61  1  0.503993  0.755005  0.359326  1
  Cu  Cu62  1  0.650748  0.800786  0.326582  1
  Cu  Cu63  1  0.827666  0.777830  0.342940  1
  Cu  Cu64  1  0.837326  0.421672  0.359326  1
  Cu  Cu65  1  0.984081  0.467453  0.326582  1
  Cu  Cu66  1  0.161000  0.444497  0.342940  1
  Cu  Cu67  1  0.670659  0.088339  0.359326  1
  Cu  Cu68  1  0.817414  0.134120  0.326582  1
  Cu  Cu69  1  0.994333  0.111164  0.342940  1
  Cu  Cu70  1  0.003993  0.755005  0.359326  1
  Cu  Cu71  1  0.150748  0.800786  0.326582  1
  Cu  Cu72  1  0.170659  0.088339  0.359326  1
  Cu  Cu73  1  0.309628  0.527651  0.403739  1
  Cu  Cu74  1  0.319949  0.171429  0.420548  1
  Cu  Cu75  1  0.466111  0.217292  0.387080  1
  Cu  Cu76  1  0.642961  0.194318  0.403739  1
  Cu  Cu77  1  0.299445  0.883959  0.387080  1
  Cu  Cu78  1  0.476295  0.860984  0.403739  1
  Cu  Cu79  1  0.486615  0.504762  0.420548  1
  Cu  Cu80  1  0.632778  0.550626  0.387080  1
  Cu  Cu81  1  0.809628  0.527651  0.403739  1
  Cu  Cu82  1  0.819949  0.171429  0.420548  1
  Cu  Cu83  1  0.966111  0.217292  0.387080  1
  Cu  Cu84  1  0.142961  0.194318  0.403739  1
  Cu  Cu85  1  0.653282  0.838096  0.420548  1
  Cu  Cu86  1  0.799445  0.883959  0.387080  1
  Cu  Cu87  1  0.976295  0.860984  0.403739  1
  Cu  Cu88  1  0.986615  0.504762  0.420548  1
  Cu  Cu89  1  0.132778  0.550626  0.387080  1
  Cu  Cu90  1  0.153282  0.838096  0.420548  1
  Cu  Cu91  1  0.357462  0.709221  0.392875  1
  Cu  Cu92  1  0.367627  0.353113  0.409605  1
  Cu  Cu93  1  0.514090  0.398725  0.376194  1
  Cu  Cu94  1  0.690796  0.375888  0.392875  1
  Cu  Cu95  1  0.347423  0.065392  0.376194  1
  Cu  Cu96  1  0.524129  0.042554  0.392875  1
  Cu  Cu97  1  0.534293  0.686446  0.409605  1
  Cu  Cu98  1  0.680756  0.732059  0.376194  1
  Cu  Cu99  1  0.857462  0.709221  0.392875  1
  Cu  Cu100  1  0.867627  0.353113  0.409605  1
  Cu  Cu101  1  0.014090  0.398725  0.376194  1
  Cu  Cu102  1  0.190796  0.375888  0.392875  1
  Cu  Cu103  1  0.700960  0.019780  0.409605  1
  Cu  Cu104  1  0.847423  0.065392  0.376194  1
  Cu  Cu105  1  0.024129  0.042554  0.392875  1
  Cu  Cu106  1  0.034293  0.686446  0.409605  1
  Cu  Cu107  1  0.180756  0.732059  0.376194  1
  Cu  Cu108  1  0.200960  0.019780  0.409605  1
  Cu  Cu109  1  0.340433  0.458892  0.453986  1
  Cu  Cu110  1  0.350692  0.102642  0.470727  1
  Cu  Cu111  1  0.496892  0.148477  0.437254  1
  Cu  Cu112  1  0.673766  0.125559  0.453986  1
  Cu  Cu113  1  0.330226  0.815143  0.437254  1
  Cu  Cu114  1  0.507099  0.792226  0.453986  1
  Cu  Cu115  1  0.517359  0.435975  0.470727  1
  Cu  Cu116  1  0.663559  0.481810  0.437254  1
  Cu  Cu117  1  0.840433  0.458892  0.453986  1
  Cu  Cu118  1  0.850692  0.102642  0.470727  1
  Cu  Cu119  1  0.996892  0.148477  0.437254  1
  Cu  Cu120  1  0.173766  0.125559  0.453986  1
  Cu  Cu121  1  0.684026  0.769308  0.470727  1
  Cu  Cu122  1  0.830226  0.815143  0.437254  1
  Cu  Cu123  1  0.007099  0.792226  0.453986  1
  Cu  Cu124  1  0.017359  0.435975  0.470727  1
  Cu  Cu125  1  0.163559  0.481810  0.437254  1
  Cu  Cu126  1  0.184026  0.769308  0.470727  1
  Cu  Cu127  1  0.388034  0.640507  0.443039  1
  Cu  Cu128  1  0.398285  0.284288  0.459791  1
  Cu  Cu129  1  0.544485  0.330125  0.426353  1
  Cu  Cu130  1  0.721368  0.307173  0.443039  1
  Cu  Cu131  1  0.377819  0.996792  0.426353  1
  Cu  Cu132  1  0.554701  0.973840  0.443039  1
  Cu  Cu133  1  0.564952  0.617621  0.459791  1
  Cu  Cu134  1  0.711152  0.663459  0.426353  1
  Cu  Cu135  1  0.888034  0.640507  0.443039  1
  Cu  Cu136  1  0.898285  0.284288  0.459791  1
  Cu  Cu137  1  0.044485  0.330125  0.426353  1
  Cu  Cu138  1  0.221368  0.307173  0.443039  1
  Cu  Cu139  1  0.731618  0.950955  0.459791  1
  Cu  Cu140  1  0.877819  0.996792  0.426353  1
  Cu  Cu141  1  0.054701  0.973840  0.443039  1
  Cu  Cu142  1  0.064952  0.617621  0.459791  1
  Cu  Cu143  1  0.211152  0.663459  0.426353  1
  Cu  Cu144  1  0.231618  0.950955  0.459791  1
  Cu  Cu145  1  0.371190  0.390117  0.504187  1
  Cu  Cu146  1  0.381437  0.033865  0.520905  1
  Cu  Cu147  1  0.527610  0.079699  0.487443  1
  Cu  Cu148  1  0.704523  0.056784  0.504187  1
  Cu  Cu149  1  0.360943  0.746366  0.487443  1
  Cu  Cu150  1  0.537857  0.723450  0.504187  1
  Cu  Cu151  1  0.548104  0.367198  0.520905  1
  Cu  Cu152  1  0.694277  0.413032  0.487443  1
  Cu  Cu153  1  0.871190  0.390117  0.504187  1
  Cu  Cu154  1  0.881437  0.033865  0.520905  1
  Cu  Cu155  1  0.027610  0.079699  0.487443  1
  Cu  Cu156  1  0.204523  0.056784  0.504187  1
  Cu  Cu157  1  0.714770  0.700532  0.520905  1
  Cu  Cu158  1  0.860943  0.746366  0.487443  1
  Cu  Cu159  1  0.037857  0.723450  0.504187  1
  Cu  Cu160  1  0.048104  0.367198  0.520905  1
  Cu  Cu161  1  0.194277  0.413032  0.487443  1
  Cu  Cu162  1  0.214770  0.700532  0.520905  1
  Cu  Cu163  1  0.418773  0.571766  0.493237  1
  Cu  Cu164  1  0.429019  0.215518  0.509981  1
  Cu  Cu165  1  0.575192  0.261352  0.476519  1
  Cu  Cu166  1  0.752106  0.238433  0.493237  1
  Cu  Cu167  1  0.408526  0.928019  0.476519  1
  Cu  Cu168  1  0.585439  0.905100  0.493237  1
  Cu  Cu169  1  0.595686  0.548851  0.509981  1
  Cu  Cu170  1  0.741859  0.594685  0.476519  1
  Cu  Cu171  1  0.918773  0.571766  0.493237  1
  Cu  Cu172  1  0.929019  0.215518  0.509981  1
  Cu  Cu173  1  0.075192  0.261352  0.476519  1
  Cu  Cu174  1  0.252106  0.238433  0.493237  1
  Cu  Cu175  1  0.762353  0.882184  0.509981  1
  Cu  Cu176  1  0.908526  0.928019  0.476519  1
  Cu  Cu177  1  0.085439  0.905100  0.493237  1
  Cu  Cu178  1  0.095686  0.548851  0.509981  1
  Cu  Cu179  1  0.241859  0.594685  0.476519  1
  Cu  Cu180  1  0.262353  0.882184  0.509981  1
  Cu  Cu181  1  0.401928  0.321377  0.554384  1
  Cu  Cu182  1  0.412144  0.965091  0.571071  1
  Cu  Cu183  1  0.558344  0.010929  0.537633  1
  Cu  Cu184  1  0.735262  0.988043  0.554384  1
  Cu  Cu185  1  0.391677  0.677595  0.537633  1
  Cu  Cu186  1  0.568595  0.654710  0.554384  1
  Cu  Cu187  1  0.578810  0.298425  0.571071  1
  Cu  Cu188  1  0.725011  0.344262  0.537633  1
  Cu  Cu189  1  0.901928  0.321377  0.554384  1
  Cu  Cu190  1  0.912144  0.965091  0.571071  1
  Cu  Cu191  1  0.058344  0.010929  0.537633  1
  Cu  Cu192  1  0.235262  0.988043  0.554384  1
  Cu  Cu193  1  0.745477  0.631758  0.571071  1
  Cu  Cu194  1  0.891677  0.677595  0.537633  1
  Cu  Cu195  1  0.068595  0.654710  0.554384  1
  Cu  Cu196  1  0.078810  0.298425  0.571071  1
  Cu  Cu197  1  0.225011  0.344262  0.537633  1
  Cu  Cu198  1  0.245477  0.631758  0.571071  1
  Cu  Cu199  1  0.449530  0.502991  0.543438  1
  Cu  Cu200  1  0.459737  0.146740  0.560170  1
  Cu  Cu201  1  0.605937  0.192575  0.526697  1
  Cu  Cu202  1  0.782863  0.169658  0.543438  1
  Cu  Cu203  1  0.439270  0.859242  0.526697  1
  Cu  Cu204  1  0.616197  0.836324  0.543438  1
  Cu  Cu205  1  0.626404  0.480073  0.560170  1
  Cu  Cu206  1  0.772603  0.525908  0.526697  1
  Cu  Cu207  1  0.949530  0.502991  0.543438  1
  Cu  Cu208  1  0.959737  0.146740  0.560170  1
  Cu  Cu209  1  0.105937  0.192575  0.526697  1
  Cu  Cu210  1  0.282863  0.169658  0.543438  1
  Cu  Cu211  1  0.793070  0.813407  0.560170  1
  Cu  Cu212  1  0.939270  0.859242  0.526697  1
  Cu  Cu213  1  0.116197  0.836324  0.543438  1
  Cu  Cu214  1  0.126404  0.480073  0.560170  1
  Cu  Cu215  1  0.272603  0.525908  0.526697  1
  Cu  Cu216  1  0.293070  0.813407  0.560170  1
  Cu  Cu217  1  0.432500  0.252663  0.604549  1
  Cu  Cu218  1  0.442539  0.896491  0.621230  1
  Cu  Cu219  1  0.589002  0.942104  0.587819  1
  Cu  Cu220  1  0.765833  0.919329  0.604549  1
  Cu  Cu221  1  0.422336  0.608771  0.587819  1
  Cu  Cu222  1  0.599167  0.585996  0.604549  1
  Cu  Cu223  1  0.609206  0.229825  0.621230  1
  Cu  Cu224  1  0.755669  0.275437  0.587819  1
  Cu  Cu225  1  0.932500  0.252663  0.604549  1
  Cu  Cu226  1  0.942539  0.896491  0.621230  1
  Cu  Cu227  1  0.089002  0.942104  0.587819  1
  Cu  Cu228  1  0.265833  0.919329  0.604549  1
  Cu  Cu229  1  0.775873  0.563158  0.621230  1
  Cu  Cu230  1  0.922336  0.608771  0.587819  1
  Cu  Cu231  1  0.099167  0.585996  0.604549  1
  Cu  Cu232  1  0.109206  0.229825  0.621230  1
  Cu  Cu233  1  0.255669  0.275437  0.587819  1
  Cu  Cu234  1  0.275873  0.563158  0.621230  1
  Cu  Cu235  1  0.480334  0.434232  0.593685  1
  Cu  Cu236  1  0.490518  0.077924  0.610344  1
  Cu  Cu237  1  0.636680  0.123788  0.576876  1
  Cu  Cu238  1  0.813668  0.100899  0.593685  1
  Cu  Cu239  1  0.470014  0.790454  0.576876  1
  Cu  Cu240  1  0.647001  0.767566  0.593685  1
  Cu  Cu241  1  0.657185  0.411258  0.610344  1
  Cu  Cu242  1  0.803347  0.457121  0.576876  1
  Cu  Cu243  1  0.980334  0.434232  0.593685  1
  Cu  Cu244  1  0.990518  0.077924  0.610344  1
  Cu  Cu245  1  0.136680  0.123788  0.576876  1
  Cu  Cu246  1  0.313668  0.100899  0.593685  1
  Cu  Cu247  1  0.823851  0.744591  0.610344  1
  Cu  Cu248  1  0.970014  0.790454  0.576876  1
  Cu  Cu249  1  0.147001  0.767566  0.593685  1
  Cu  Cu250  1  0.157185  0.411258  0.610344  1
  Cu  Cu251  1  0.303347  0.457121  0.576876  1
  Cu  Cu252  1  0.323851  0.744591  0.610344  1
  Cu  Cu253  1  0.462296  0.184053  0.654484  1
  Cu  Cu254  1  0.472548  0.827764  0.670842  1
  Cu  Cu255  1  0.619303  0.873545  0.638098  1
  Cu  Cu256  1  0.795630  0.850720  0.654484  1
  Cu  Cu257  1  0.452636  0.540211  0.638098  1
  Cu  Cu258  1  0.628963  0.517386  0.654484  1
  Cu  Cu259  1  0.639215  0.161097  0.670842  1
  Cu  Cu260  1  0.785970  0.206878  0.638098  1
  Cu  Cu261  1  0.962296  0.184053  0.654484  1
  Cu  Cu262  1  0.972548  0.827764  0.670842  1
  Cu  Cu263  1  0.119303  0.873545  0.638098  1
  Cu  Cu264  1  0.295630  0.850720  0.654484  1
  Cu  Cu265  1  0.805881  0.494430  0.670842  1
  Cu  Cu266  1  0.952636  0.540211  0.638098  1
  Cu  Cu267  1  0.128963  0.517386  0.654484  1
  Cu  Cu268  1  0.139215  0.161097  0.670842  1
  Cu  Cu269  1  0.285970  0.206878  0.638098  1
  Cu  Cu270  1  0.305881  0.494430  0.670842  1
  Cu  Cu271  1  0.510926  0.365564  0.643994  1
  Cu  Cu272  1  0.521347  0.009667  0.660456  1
  Cu  Cu273  1  0.667624  0.054844  0.627040  1
  Cu  Cu274  1  0.844260  0.032230  0.643994  1
  Cu  Cu275  1  0.500957  0.721511  0.627040  1
  Cu  Cu276  1  0.677593  0.698897  0.643994  1
  Cu  Cu277  1  0.688014  0.343001  0.660456  1
  Cu  Cu278  1  0.834290  0.388177  0.627040  1
  Cu  Cu279  1  0.010926  0.365564  0.643994  1
  Cu  Cu280  1  0.021347  0.009667  0.660456  1
  Cu  Cu281  1  0.167624  0.054844  0.627040  1
  Cu  Cu282  1  0.344260  0.032230  0.643994  1
  Cu  Cu283  1  0.854680  0.676334  0.660456  1
  Cu  Cu284  1  1.000957  0.721511  0.627040  1
  Cu  Cu285  1  0.177593  0.698897  0.643994  1
  Cu  Cu286  1  0.188014  0.343001  0.660456  1
  Cu  Cu287  1  0.334290  0.388177  0.627040  1
  Cu  Cu288  1  0.354680  0.676334  0.660456  1
  Cu  Cu289  1  0.491486  0.115889  0.703311  1
  Cu  Cu290  1  0.498684  0.761772  0.718665  1
  Cu  Cu291  1  0.649406  0.804658  0.687815  1
  Cu  Cu292  1  0.824819  0.782556  0.703311  1
  Cu  Cu293  1  0.482739  0.471325  0.687815  1
  Cu  Cu294  1  0.658153  0.449223  0.703311  1
  Cu  Cu295  1  0.665351  0.095105  0.718665  1
  Cu  Cu296  1  0.816072  0.137991  0.687815  1
  Cu  Cu297  1  0.991486  0.115889  0.703311  1
  Cu  Cu298  1  0.998684  0.761772  0.718665  1
  Cu  Cu299  1  0.149406  0.804658  0.687815  1
  Cu  Cu300  1  0.324819  0.782556  0.703311  1
  Cu  Cu301  1  0.832017  0.428439  0.718665  1
  Cu  Cu302  1  0.982739  0.471325  0.687815  1
  Cu  Cu303  1  0.158153  0.449223  0.703311  1
  Cu  Cu304  1  0.165351  0.095105  0.718665  1
  Cu  Cu305  1  0.316072  0.137991  0.687815  1
  Cu  Cu306  1  0.332017  0.428439  0.718665  1
  Cu  Cu307  1  0.541510  0.296329  0.693459  1
  Cu  Cu308  1  0.551315  0.941837  0.708886  1
  Cu  Cu309  1  0.698436  0.985624  0.677203  1
  Cu  Cu310  1  0.874843  0.962995  0.693459  1
  Cu  Cu311  1  0.531769  0.652291  0.677203  1
  Cu  Cu312  1  0.708176  0.629662  0.693459  1
  Cu  Cu313  1  0.717982  0.275171  0.708886  1
  Cu  Cu314  1  0.865103  0.318957  0.677203  1
  Cu  Cu315  1  0.041510  0.296329  0.693459  1
  Cu  Cu316  1  0.051315  0.941837  0.708886  1
  Cu  Cu317  1  0.198436  0.985624  0.677203  1
  Cu  Cu318  1  0.374843  0.962995  0.693459  1
  Cu  Cu319  1  0.884648  0.608504  0.708886  1
  Cu  Cu320  1  0.031769  0.652291  0.677203  1
  Cu  Cu321  1  0.208176  0.629662  0.693459  1
  Cu  Cu322  1  0.217982  0.275171  0.708886  1
  Cu  Cu323  1  0.365103  0.318957  0.677203  1
  Cu  Cu324  1  0.384648  0.608504  0.708886  1
