# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.41964197
_cell_length_b   13.41236327
_cell_length_c   46.80201318
_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   8402.23235869
_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  0.258526  0.805038  0.319629  1
  Cu  Cu2  1  0.239104  0.517849  0.287132  1
  Cu  Cu3  1  0.416676  0.494404  0.302208  1
  Cu  Cu4  1  0.591859  0.471705  0.319629  1
  Cu  Cu5  1  0.250009  0.161071  0.302208  1
  Cu  Cu6  1  0.425192  0.138371  0.319629  1
  Cu  Cu7  1  0.405771  0.851182  0.287132  1
  Cu  Cu8  1  0.583342  0.827738  0.302208  1
  Cu  Cu9  1  0.758526  0.805038  0.319629  1
  Cu  Cu10  1  0.739104  0.517849  0.287132  1
  Cu  Cu11  1  0.916676  0.494404  0.302208  1
  Cu  Cu12  1  0.091859  0.471705  0.319629  1
  Cu  Cu13  1  0.572438  0.184516  0.287132  1
  Cu  Cu14  1  0.750009  0.161071  0.302208  1
  Cu  Cu15  1  0.925192  0.138371  0.319629  1
  Cu  Cu16  1  0.905771  0.851182  0.287132  1
  Cu  Cu17  1  0.083342  0.827738  0.302208  1
  Cu  Cu18  1  0.072438  0.184516  0.287132  1
  Cu  Cu19  1  0.288192  0.699939  0.277655  1
  Cu  Cu20  1  0.296687  0.342129  0.292514  1
  Cu  Cu21  1  0.472206  0.318649  0.308377  1
  Cu  Cu22  1  0.621526  0.366606  0.277655  1
  Cu  Cu23  1  0.305539  0.985316  0.308377  1
  Cu  Cu24  1  0.454859  0.033273  0.277655  1
  Cu  Cu25  1  0.463353  0.675462  0.292514  1
  Cu  Cu26  1  0.638873  0.651983  0.308377  1
  Cu  Cu27  1  0.788192  0.699939  0.277655  1
  Cu  Cu28  1  0.796687  0.342129  0.292514  1
  Cu  Cu29  1  0.972206  0.318649  0.308377  1
  Cu  Cu30  1  0.121526  0.366606  0.277655  1
  Cu  Cu31  1  0.630020  0.008796  0.292514  1
  Cu  Cu32  1  0.805539  0.985316  0.308377  1
  Cu  Cu33  1  0.954859  0.033273  0.277655  1
  Cu  Cu34  1  0.963353  0.675462  0.292514  1
  Cu  Cu35  1  0.138873  0.651983  0.308377  1
  Cu  Cu36  1  0.130020  0.008796  0.292514  1
  Cu  Cu37  1  0.289202  0.735181  0.369374  1
  Cu  Cu38  1  0.269306  0.447785  0.335897  1
  Cu  Cu39  1  0.445361  0.424558  0.352370  1
  Cu  Cu40  1  0.622536  0.401848  0.369374  1
  Cu  Cu41  1  0.278695  0.091225  0.352370  1
  Cu  Cu42  1  0.455869  0.068515  0.369374  1
  Cu  Cu43  1  0.435973  0.781118  0.335897  1
  Cu  Cu44  1  0.612028  0.757891  0.352370  1
  Cu  Cu45  1  0.789202  0.735181  0.369374  1
  Cu  Cu46  1  0.769306  0.447785  0.335897  1
  Cu  Cu47  1  0.945361  0.424558  0.352370  1
  Cu  Cu48  1  0.122536  0.401848  0.369374  1
  Cu  Cu49  1  0.602639  0.114452  0.335897  1
  Cu  Cu50  1  0.778695  0.091225  0.352370  1
  Cu  Cu51  1  0.955869  0.068515  0.369374  1
  Cu  Cu52  1  0.935973  0.781118  0.335897  1
  Cu  Cu53  1  0.112028  0.757891  0.352370  1
  Cu  Cu54  1  0.102639  0.114452  0.335897  1
  Cu  Cu55  1  0.317203  0.629390  0.325699  1
  Cu  Cu56  1  0.326503  0.272971  0.341947  1
  Cu  Cu57  1  0.503776  0.250293  0.358343  1
  Cu  Cu58  1  0.650536  0.296057  0.325699  1
  Cu  Cu59  1  0.337110  0.916960  0.358343  1
  Cu  Cu60  1  0.483870  0.962723  0.325699  1
  Cu  Cu61  1  0.493169  0.606305  0.341947  1
  Cu  Cu62  1  0.670443  0.583626  0.358343  1
  Cu  Cu63  1  0.817203  0.629390  0.325699  1
  Cu  Cu64  1  0.826503  0.272971  0.341947  1
  Cu  Cu65  1  1.003776  0.250293  0.358343  1
  Cu  Cu66  1  0.150536  0.296057  0.325699  1
  Cu  Cu67  1  0.659836  0.939638  0.341947  1
  Cu  Cu68  1  0.837110  0.916960  0.358343  1
  Cu  Cu69  1  0.983870  0.962723  0.325699  1
  Cu  Cu70  1  0.993169  0.606305  0.341947  1
  Cu  Cu71  1  0.170443  0.583626  0.358343  1
  Cu  Cu72  1  0.159836  0.939638  0.341947  1
  Cu  Cu73  1  0.319795  0.665476  0.419517  1
  Cu  Cu74  1  0.299326  0.378318  0.386070  1
  Cu  Cu75  1  0.476176  0.355245  0.402700  1
  Cu  Cu76  1  0.653128  0.332143  0.419517  1
  Cu  Cu77  1  0.309510  0.021912  0.402700  1
  Cu  Cu78  1  0.486462  0.998810  0.419517  1
  Cu  Cu79  1  0.465993  0.711651  0.386070  1
  Cu  Cu80  1  0.642843  0.688578  0.402700  1
  Cu  Cu81  1  0.819795  0.665476  0.419517  1
  Cu  Cu82  1  0.799326  0.378318  0.386070  1
  Cu  Cu83  1  0.976176  0.355245  0.402700  1
  Cu  Cu84  1  0.153128  0.332143  0.419517  1
  Cu  Cu85  1  0.632660  0.044985  0.386070  1
  Cu  Cu86  1  0.809510  0.021912  0.402700  1
  Cu  Cu87  1  0.986462  0.998810  0.419517  1
  Cu  Cu88  1  0.965993  0.711651  0.386070  1
  Cu  Cu89  1  0.142843  0.688578  0.402700  1
  Cu  Cu90  1  0.132660  0.044985  0.386070  1
  Cu  Cu91  1  0.347097  0.559879  0.375278  1
  Cu  Cu92  1  0.357333  0.203545  0.391802  1
  Cu  Cu93  1  0.534159  0.180665  0.408558  1
  Cu  Cu94  1  0.680431  0.226546  0.375278  1
  Cu  Cu95  1  0.367493  0.847332  0.408558  1
  Cu  Cu96  1  0.513764  0.893213  0.375278  1
  Cu  Cu97  1  0.524000  0.536878  0.391802  1
  Cu  Cu98  1  0.700826  0.513998  0.408558  1
  Cu  Cu99  1  0.847097  0.559879  0.375278  1
  Cu  Cu100  1  0.857333  0.203545  0.391802  1
  Cu  Cu101  1  0.034159  0.180665  0.408558  1
  Cu  Cu102  1  0.180431  0.226546  0.375278  1
  Cu  Cu103  1  0.690666  0.870212  0.391802  1
  Cu  Cu104  1  0.867493  0.847332  0.408558  1
  Cu  Cu105  1  0.013764  0.893213  0.375278  1
  Cu  Cu106  1  0.024000  0.536878  0.391802  1
  Cu  Cu107  1  0.200826  0.513998  0.408558  1
  Cu  Cu108  1  0.190666  0.870212  0.391802  1
  Cu  Cu109  1  0.350586  0.596039  0.469652  1
  Cu  Cu110  1  0.330088  0.308901  0.436200  1
  Cu  Cu111  1  0.506965  0.285838  0.452922  1
  Cu  Cu112  1  0.683919  0.262706  0.469652  1
  Cu  Cu113  1  0.340299  0.952505  0.452922  1
  Cu  Cu114  1  0.517253  0.929373  0.469652  1
  Cu  Cu115  1  0.496755  0.642234  0.436200  1
  Cu  Cu116  1  0.673632  0.619171  0.452922  1
  Cu  Cu117  1  0.850586  0.596039  0.469652  1
  Cu  Cu118  1  0.830088  0.308901  0.436200  1
  Cu  Cu119  1  0.006965  0.285838  0.452922  1
  Cu  Cu120  1  0.183919  0.262706  0.469652  1
  Cu  Cu121  1  0.663422  0.975568  0.436200  1
  Cu  Cu122  1  0.840299  0.952505  0.452922  1
  Cu  Cu123  1  0.017253  0.929373  0.469652  1
  Cu  Cu124  1  0.996755  0.642234  0.436200  1
  Cu  Cu125  1  0.173632  0.619171  0.452922  1
  Cu  Cu126  1  0.163422  0.975568  0.436200  1
  Cu  Cu127  1  0.377778  0.490722  0.425299  1
  Cu  Cu128  1  0.387984  0.134287  0.441960  1
  Cu  Cu129  1  0.564921  0.111205  0.458688  1
  Cu  Cu130  1  0.711111  0.157388  0.425299  1
  Cu  Cu131  1  0.398254  0.777871  0.458688  1
  Cu  Cu132  1  0.544444  0.824055  0.425299  1
  Cu  Cu133  1  0.554650  0.467620  0.441960  1
  Cu  Cu134  1  0.731587  0.444538  0.458688  1
  Cu  Cu135  1  0.877778  0.490722  0.425299  1
  Cu  Cu136  1  0.887984  0.134287  0.441960  1
  Cu  Cu137  1  0.064921  0.111205  0.458688  1
  Cu  Cu138  1  0.211111  0.157388  0.425299  1
  Cu  Cu139  1  0.721317  0.800953  0.441960  1
  Cu  Cu140  1  0.898254  0.777871  0.458688  1
  Cu  Cu141  1  0.044444  0.824055  0.425299  1
  Cu  Cu142  1  0.054650  0.467620  0.441960  1
  Cu  Cu143  1  0.231587  0.444538  0.458688  1
  Cu  Cu144  1  0.221317  0.800953  0.441960  1
  Cu  Cu145  1  0.381375  0.526658  0.519784  1
  Cu  Cu146  1  0.360843  0.239542  0.486356  1
  Cu  Cu147  1  0.537771  0.216435  0.503079  1
  Cu  Cu148  1  0.714708  0.193325  0.519784  1
  Cu  Cu149  1  0.371105  0.883102  0.503079  1
  Cu  Cu150  1  0.548041  0.859991  0.519784  1
  Cu  Cu151  1  0.527510  0.572875  0.486356  1
  Cu  Cu152  1  0.704438  0.549768  0.503079  1
  Cu  Cu153  1  0.881375  0.526658  0.519784  1
  Cu  Cu154  1  0.860843  0.239542  0.486356  1
  Cu  Cu155  1  0.037771  0.216435  0.503079  1
  Cu  Cu156  1  0.214708  0.193325  0.519784  1
  Cu  Cu157  1  0.694177  0.906209  0.486356  1
  Cu  Cu158  1  0.871105  0.883102  0.503079  1
  Cu  Cu159  1  0.048041  0.859991  0.519784  1
  Cu  Cu160  1  0.027510  0.572875  0.486356  1
  Cu  Cu161  1  0.204438  0.549768  0.503079  1
  Cu  Cu162  1  0.194177  0.906209  0.486356  1
  Cu  Cu163  1  0.408503  0.421375  0.475404  1
  Cu  Cu164  1  0.418773  0.064931  0.492110  1
  Cu  Cu165  1  0.595701  0.041824  0.508832  1
  Cu  Cu166  1  0.741836  0.088042  0.475404  1
  Cu  Cu167  1  0.429034  0.708491  0.508832  1
  Cu  Cu168  1  0.575170  0.754708  0.475404  1
  Cu  Cu169  1  0.585440  0.398265  0.492110  1
  Cu  Cu170  1  0.762368  0.375158  0.508832  1
  Cu  Cu171  1  0.908503  0.421375  0.475404  1
  Cu  Cu172  1  0.918773  0.064931  0.492110  1
  Cu  Cu173  1  0.095701  0.041824  0.508832  1
  Cu  Cu174  1  0.241836  0.088042  0.475404  1
  Cu  Cu175  1  0.752106  0.731598  0.492110  1
  Cu  Cu176  1  0.929034  0.708491  0.508832  1
  Cu  Cu177  1  0.075170  0.754708  0.475404  1
  Cu  Cu178  1  0.085440  0.398265  0.492110  1
  Cu  Cu179  1  0.262368  0.375158  0.508832  1
  Cu  Cu180  1  0.252106  0.731598  0.492110  1
  Cu  Cu181  1  0.412100  0.457311  0.569890  1
  Cu  Cu182  1  0.391624  0.170162  0.536500  1
  Cu  Cu183  1  0.568561  0.147080  0.553228  1
  Cu  Cu184  1  0.745433  0.123978  0.569890  1
  Cu  Cu185  1  0.401894  0.813746  0.553228  1
  Cu  Cu186  1  0.578767  0.790645  0.569890  1
  Cu  Cu187  1  0.558290  0.503495  0.536500  1
  Cu  Cu188  1  0.735227  0.480413  0.553228  1
  Cu  Cu189  1  0.912100  0.457311  0.569890  1
  Cu  Cu190  1  0.891624  0.170162  0.536500  1
  Cu  Cu191  1  0.068561  0.147080  0.553228  1
  Cu  Cu192  1  0.245433  0.123978  0.569890  1
  Cu  Cu193  1  0.724957  0.836828  0.536500  1
  Cu  Cu194  1  0.901894  0.813746  0.553228  1
  Cu  Cu195  1  0.078767  0.790645  0.569890  1
  Cu  Cu196  1  0.058290  0.503495  0.536500  1
  Cu  Cu197  1  0.235227  0.480413  0.553228  1
  Cu  Cu198  1  0.224957  0.836828  0.536500  1
  Cu  Cu199  1  0.439292  0.351994  0.525536  1
  Cu  Cu200  1  0.449579  0.995529  0.542266  1
  Cu  Cu201  1  0.626456  0.972465  0.558988  1
  Cu  Cu202  1  0.772625  0.018660  0.525536  1
  Cu  Cu203  1  0.459789  0.639132  0.558988  1
  Cu  Cu204  1  0.605958  0.685327  0.525536  1
  Cu  Cu205  1  0.616246  0.328862  0.542266  1
  Cu  Cu206  1  0.793123  0.305799  0.558988  1
  Cu  Cu207  1  0.939292  0.351994  0.525536  1
  Cu  Cu208  1  0.949579  0.995529  0.542266  1
  Cu  Cu209  1  0.126456  0.972465  0.558988  1
  Cu  Cu210  1  0.272625  0.018660  0.525536  1
  Cu  Cu211  1  0.782912  0.662195  0.542266  1
  Cu  Cu212  1  0.959789  0.639132  0.558988  1
  Cu  Cu213  1  0.105958  0.685327  0.525536  1
  Cu  Cu214  1  0.116246  0.328862  0.542266  1
  Cu  Cu215  1  0.293123  0.305799  0.558988  1
  Cu  Cu216  1  0.282912  0.662195  0.542266  1
  Cu  Cu217  1  0.442780  0.388154  0.619910  1
  Cu  Cu218  1  0.422385  0.100701  0.586631  1
  Cu  Cu219  1  0.599211  0.077821  0.603386  1
  Cu  Cu220  1  0.776114  0.054821  0.619910  1
  Cu  Cu221  1  0.432545  0.744488  0.603386  1
  Cu  Cu222  1  0.609447  0.721487  0.619910  1
  Cu  Cu223  1  0.589052  0.434035  0.586631  1
  Cu  Cu224  1  0.765878  0.411155  0.603386  1
  Cu  Cu225  1  0.942780  0.388154  0.619910  1
  Cu  Cu226  1  0.922385  0.100701  0.586631  1
  Cu  Cu227  1  0.099211  0.077821  0.603386  1
  Cu  Cu228  1  0.276114  0.054821  0.619910  1
  Cu  Cu229  1  0.755718  0.767368  0.586631  1
  Cu  Cu230  1  0.932545  0.744488  0.603386  1
  Cu  Cu231  1  0.109447  0.721487  0.619910  1
  Cu  Cu232  1  0.089052  0.434035  0.586631  1
  Cu  Cu233  1  0.265878  0.411155  0.603386  1
  Cu  Cu234  1  0.255718  0.767368  0.586631  1
  Cu  Cu235  1  0.470083  0.282557  0.575672  1
  Cu  Cu236  1  0.480368  0.926122  0.592488  1
  Cu  Cu237  1  0.657218  0.903048  0.609118  1
  Cu  Cu238  1  0.803416  0.949223  0.575672  1
  Cu  Cu239  1  0.490551  0.569715  0.609118  1
  Cu  Cu240  1  0.636749  0.615890  0.575672  1
  Cu  Cu241  1  0.647035  0.259455  0.592488  1
  Cu  Cu242  1  0.823885  0.236382  0.609118  1
  Cu  Cu243  1  0.970083  0.282557  0.575672  1
  Cu  Cu244  1  0.980368  0.926122  0.592488  1
  Cu  Cu245  1  0.157218  0.903048  0.609118  1
  Cu  Cu246  1  0.303416  0.949223  0.575672  1
  Cu  Cu247  1  0.813702  0.592788  0.592488  1
  Cu  Cu248  1  0.990551  0.569715  0.609118  1
  Cu  Cu249  1  0.136749  0.615890  0.575672  1
  Cu  Cu250  1  0.147035  0.259455  0.592488  1
  Cu  Cu251  1  0.323885  0.236382  0.609118  1
  Cu  Cu252  1  0.313702  0.592788  0.592488  1
  Cu  Cu253  1  0.472675  0.318643  0.669489  1
  Cu  Cu254  1  0.452768  0.031073  0.636845  1
  Cu  Cu255  1  0.630042  0.008395  0.653242  1
  Cu  Cu256  1  0.806008  0.985310  0.669489  1
  Cu  Cu257  1  0.463375  0.675062  0.653242  1
  Cu  Cu258  1  0.639341  0.651976  0.669489  1
  Cu  Cu259  1  0.619435  0.364407  0.636845  1
  Cu  Cu260  1  0.796708  0.341729  0.653242  1
  Cu  Cu261  1  0.972675  0.318643  0.669489  1
  Cu  Cu262  1  0.952768  0.031073  0.636845  1
  Cu  Cu263  1  0.130042  0.008395  0.653242  1
  Cu  Cu264  1  0.306008  0.985310  0.669489  1
  Cu  Cu265  1  0.786101  0.697740  0.636845  1
  Cu  Cu266  1  0.963375  0.675062  0.653242  1
  Cu  Cu267  1  0.139341  0.651976  0.669489  1
  Cu  Cu268  1  0.119435  0.364407  0.636845  1
  Cu  Cu269  1  0.296708  0.341729  0.653242  1
  Cu  Cu270  1  0.286101  0.697740  0.636845  1
  Cu  Cu271  1  0.500676  0.212852  0.625815  1
  Cu  Cu272  1  0.511183  0.856808  0.642819  1
  Cu  Cu273  1  0.687238  0.833581  0.659291  1
  Cu  Cu274  1  0.834009  0.879519  0.625815  1
  Cu  Cu275  1  0.520572  0.500248  0.659291  1
  Cu  Cu276  1  0.667342  0.546185  0.625815  1
  Cu  Cu277  1  0.677850  0.190142  0.642819  1
  Cu  Cu278  1  0.853905  0.166915  0.659291  1
  Cu  Cu279  1  1.000676  0.212852  0.625815  1
  Cu  Cu280  1  0.011183  0.856808  0.642819  1
  Cu  Cu281  1  0.187238  0.833581  0.659291  1
  Cu  Cu282  1  0.334009  0.879519  0.625815  1
  Cu  Cu283  1  0.844516  0.523475  0.642819  1
  Cu  Cu284  1  0.020572  0.500248  0.659291  1
  Cu  Cu285  1  0.167342  0.546185  0.625815  1
  Cu  Cu286  1  0.177850  0.190142  0.642819  1
  Cu  Cu287  1  0.353905  0.166915  0.659291  1
  Cu  Cu288  1  0.344516  0.523475  0.642819  1
  Cu  Cu289  1  0.501685  0.248094  0.717534  1
  Cu  Cu290  1  0.484338  0.962717  0.686811  1
  Cu  Cu291  1  0.659858  0.939238  0.702674  1
  Cu  Cu292  1  0.835019  0.914761  0.717534  1
  Cu  Cu293  1  0.493191  0.605904  0.702674  1
  Cu  Cu294  1  0.668352  0.581427  0.717534  1
  Cu  Cu295  1  0.651005  0.296050  0.686811  1
  Cu  Cu296  1  0.826524  0.272571  0.702674  1
  Cu  Cu297  1  1.001685  0.248094  0.717534  1
  Cu  Cu298  1  0.984338  0.962717  0.686811  1
  Cu  Cu299  1  0.159858  0.939238  0.702674  1
  Cu  Cu300  1  0.335019  0.914761  0.717534  1
  Cu  Cu301  1  0.817672  0.629384  0.686811  1
  Cu  Cu302  1  0.993191  0.605904  0.702674  1
  Cu  Cu303  1  0.168352  0.581427  0.717534  1
  Cu  Cu304  1  0.151005  0.296050  0.686811  1
  Cu  Cu305  1  0.326524  0.272571  0.702674  1
  Cu  Cu306  1  0.317672  0.629384  0.686811  1
  Cu  Cu307  1  0.531352  0.142995  0.675559  1
  Cu  Cu308  1  0.539869  0.786962  0.692981  1
  Cu  Cu309  1  0.717440  0.763517  0.708056  1
  Cu  Cu310  1  0.864685  0.809662  0.675559  1
  Cu  Cu311  1  0.550774  0.430184  0.708056  1
  Cu  Cu312  1  0.698019  0.476328  0.675559  1
  Cu  Cu313  1  0.706535  0.120295  0.692981  1
  Cu  Cu314  1  0.884107  0.096851  0.708056  1
  Cu  Cu315  1  0.031352  0.142995  0.675559  1
  Cu  Cu316  1  0.039869  0.786962  0.692981  1
  Cu  Cu317  1  0.217440  0.763517  0.708056  1
  Cu  Cu318  1  0.364685  0.809662  0.675559  1
  Cu  Cu319  1  0.873202  0.453629  0.692981  1
  Cu  Cu320  1  0.050774  0.430184  0.708056  1
  Cu  Cu321  1  0.198019  0.476328  0.675559  1
  Cu  Cu322  1  0.206535  0.120295  0.692981  1
  Cu  Cu323  1  0.384107  0.096851  0.708056  1
  Cu  Cu324  1  0.373202  0.453629  0.692981  1
