# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.12884000
_cell_length_b   17.51622927
_cell_length_c   46.82803279
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.43029264
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu336
_cell_volume   8873.61859863
_cell_formula_units_Z   336
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  0.998785  0.601212  0.301605  1
  Cu  Cu2  1  0.391290  0.606262  0.291555  1
  Cu  Cu3  1  0.784939  0.610749  0.282248  1
  Cu  Cu4  1  0.998785  0.101212  0.301605  1
  Cu  Cu5  1  0.391290  0.106262  0.291555  1
  Cu  Cu6  1  0.784939  0.110749  0.282248  1
  Cu  Cu7  1  0.215476  0.725756  0.302464  1
  Cu  Cu8  1  0.608972  0.731006  0.292199  1
  Cu  Cu9  1  0.002991  0.735679  0.283164  1
  Cu  Cu10  1  0.215476  0.225756  0.302464  1
  Cu  Cu11  1  0.608972  0.231006  0.292199  1
  Cu  Cu12  1  0.002991  0.235679  0.283164  1
  Cu  Cu13  1  0.086635  0.358781  0.286694  1
  Cu  Cu14  1  0.481134  0.364338  0.277233  1
  Cu  Cu15  1  0.695605  0.353410  0.296431  1
  Cu  Cu16  1  0.086635  0.858781  0.286694  1
  Cu  Cu17  1  0.481134  0.864338  0.277233  1
  Cu  Cu18  1  0.695605  0.853410  0.296431  1
  Cu  Cu19  1  0.174590  0.481061  0.290619  1
  Cu  Cu20  1  0.565811  0.486794  0.280931  1
  Cu  Cu21  1  0.781643  0.476130  0.300568  1
  Cu  Cu22  1  0.174590  0.981061  0.290619  1
  Cu  Cu23  1  0.565811  0.986794  0.280931  1
  Cu  Cu24  1  0.781643  0.976130  0.300568  1
  Cu  Cu25  1  0.819703  0.585229  0.333645  1
  Cu  Cu26  1  0.210645  0.591746  0.321792  1
  Cu  Cu27  1  0.605395  0.595852  0.311852  1
  Cu  Cu28  1  0.819703  0.085229  0.333645  1
  Cu  Cu29  1  0.210645  0.091746  0.321792  1
  Cu  Cu30  1  0.605395  0.095852  0.311852  1
  Cu  Cu31  1  0.036470  0.710237  0.334604  1
  Cu  Cu32  1  0.428925  0.716327  0.322708  1
  Cu  Cu33  1  0.822167  0.720356  0.312874  1
  Cu  Cu34  1  0.036470  0.210237  0.334604  1
  Cu  Cu35  1  0.428925  0.216327  0.322708  1
  Cu  Cu36  1  0.822167  0.220356  0.312874  1
  Cu  Cu37  1  0.908131  0.343651  0.317249  1
  Cu  Cu38  1  0.301427  0.348163  0.306534  1
  Cu  Cu39  1  0.516677  0.338200  0.328295  1
  Cu  Cu40  1  0.908131  0.843651  0.317249  1
  Cu  Cu41  1  0.301427  0.848163  0.306534  1
  Cu  Cu42  1  0.516677  0.838200  0.328295  1
  Cu  Cu43  1  0.994280  0.467466  0.320894  1
  Cu  Cu44  1  0.387372  0.471653  0.311152  1
  Cu  Cu45  1  0.602874  0.460355  0.332261  1
  Cu  Cu46  1  0.994280  0.967466  0.320894  1
  Cu  Cu47  1  0.387372  0.971653  0.311152  1
  Cu  Cu48  1  0.602874  0.960355  0.332261  1
  Cu  Cu49  1  0.641386  0.568985  0.365446  1
  Cu  Cu50  1  0.034583  0.574574  0.354504  1
  Cu  Cu51  1  0.427005  0.580204  0.343601  1
  Cu  Cu52  1  0.641386  0.068985  0.365446  1
  Cu  Cu53  1  0.034583  0.074574  0.354504  1
  Cu  Cu54  1  0.427005  0.080204  0.343601  1
  Cu  Cu55  1  0.857921  0.693671  0.366544  1
  Cu  Cu56  1  0.251269  0.699019  0.355328  1
  Cu  Cu57  1  0.643788  0.704034  0.344672  1
  Cu  Cu58  1  0.857921  0.193671  0.366544  1
  Cu  Cu59  1  0.251269  0.199019  0.355328  1
  Cu  Cu60  1  0.643788  0.204034  0.344672  1
  Cu  Cu61  1  0.730842  0.326970  0.349326  1
  Cu  Cu62  1  0.122615  0.332921  0.338311  1
  Cu  Cu63  1  0.337178  0.322032  0.359852  1
  Cu  Cu64  1  0.730842  0.826970  0.349326  1
  Cu  Cu65  1  0.122615  0.832921  0.338311  1
  Cu  Cu66  1  0.337178  0.822032  0.359852  1
  Cu  Cu67  1  0.817761  0.449921  0.353609  1
  Cu  Cu68  1  0.209530  0.455446  0.342730  1
  Cu  Cu69  1  0.424696  0.444838  0.364597  1
  Cu  Cu70  1  0.817761  0.949921  0.353609  1
  Cu  Cu71  1  0.209530  0.955446  0.342730  1
  Cu  Cu72  1  0.424696  0.944838  0.364597  1
  Cu  Cu73  1  0.462812  0.553542  0.397637  1
  Cu  Cu74  1  0.855910  0.558560  0.387100  1
  Cu  Cu75  1  0.248510  0.564173  0.375819  1
  Cu  Cu76  1  0.462812  0.053542  0.397637  1
  Cu  Cu77  1  0.855910  0.058560  0.387100  1
  Cu  Cu78  1  0.248510  0.064173  0.375819  1
  Cu  Cu79  1  0.678890  0.677723  0.398721  1
  Cu  Cu80  1  0.072205  0.683074  0.388102  1
  Cu  Cu81  1  0.464604  0.688617  0.376884  1
  Cu  Cu82  1  0.678890  0.177723  0.398721  1
  Cu  Cu83  1  0.072205  0.183074  0.388102  1
  Cu  Cu84  1  0.464604  0.188617  0.376884  1
  Cu  Cu85  1  0.552166  0.311130  0.381658  1
  Cu  Cu86  1  0.944632  0.316751  0.370952  1
  Cu  Cu87  1  0.159224  0.306019  0.392193  1
  Cu  Cu88  1  0.552166  0.811130  0.381658  1
  Cu  Cu89  1  0.944632  0.816751  0.370952  1
  Cu  Cu90  1  0.159224  0.806019  0.392193  1
  Cu  Cu91  1  0.639724  0.433936  0.386054  1
  Cu  Cu92  1  0.032052  0.439649  0.374964  1
  Cu  Cu93  1  0.246655  0.428992  0.396664  1
  Cu  Cu94  1  0.639724  0.933936  0.386054  1
  Cu  Cu95  1  0.032052  0.939649  0.374964  1
  Cu  Cu96  1  0.246655  0.928992  0.396664  1
  Cu  Cu97  1  0.284529  0.537536  0.429982  1
  Cu  Cu98  1  0.677279  0.542668  0.419396  1
  Cu  Cu99  1  0.070237  0.548081  0.408490  1
  Cu  Cu100  1  0.284529  0.037536  0.429982  1
  Cu  Cu101  1  0.677279  0.042668  0.419396  1
  Cu  Cu102  1  0.070237  0.048081  0.408490  1
  Cu  Cu103  1  0.500265  0.662001  0.431051  1
  Cu  Cu104  1  0.893363  0.667190  0.420478  1
  Cu  Cu105  1  0.286138  0.672606  0.409458  1
  Cu  Cu106  1  0.500265  0.162001  0.431051  1
  Cu  Cu107  1  0.893363  0.167190  0.420478  1
  Cu  Cu108  1  0.286138  0.172606  0.409458  1
  Cu  Cu109  1  0.373625  0.295463  0.413834  1
  Cu  Cu110  1  0.766600  0.300593  0.403286  1
  Cu  Cu111  1  0.981124  0.290022  0.424812  1
  Cu  Cu112  1  0.373625  0.795463  0.413834  1
  Cu  Cu113  1  0.766600  0.800593  0.403286  1
  Cu  Cu114  1  0.981124  0.790022  0.424812  1
  Cu  Cu115  1  0.461458  0.418253  0.418399  1
  Cu  Cu116  1  0.854236  0.423560  0.407584  1
  Cu  Cu117  1  0.068719  0.412946  0.429030  1
  Cu  Cu118  1  0.461458  0.918253  0.418399  1
  Cu  Cu119  1  0.854236  0.923560  0.407584  1
  Cu  Cu120  1  0.068719  0.912946  0.429030  1
  Cu  Cu121  1  0.106307  0.521459  0.462510  1
  Cu  Cu122  1  0.498911  0.526856  0.451672  1
  Cu  Cu123  1  0.891872  0.532065  0.441005  1
  Cu  Cu124  1  0.106307  0.021459  0.462510  1
  Cu  Cu125  1  0.498911  0.026856  0.451672  1
  Cu  Cu126  1  0.891872  0.032065  0.441005  1
  Cu  Cu127  1  0.321993  0.645981  0.463531  1
  Cu  Cu128  1  0.714759  0.651265  0.452733  1
  Cu  Cu129  1  0.107782  0.656549  0.442034  1
  Cu  Cu130  1  0.321993  0.145981  0.463531  1
  Cu  Cu131  1  0.714759  0.151265  0.452733  1
  Cu  Cu132  1  0.107782  0.156549  0.442034  1
  Cu  Cu133  1  0.195467  0.279454  0.446261  1
  Cu  Cu134  1  0.588191  0.284718  0.435549  1
  Cu  Cu135  1  0.802731  0.274069  0.457211  1
  Cu  Cu136  1  0.195467  0.779454  0.446261  1
  Cu  Cu137  1  0.588191  0.784718  0.435549  1
  Cu  Cu138  1  0.802731  0.774069  0.457211  1
  Cu  Cu139  1  0.283160  0.402357  0.450646  1
  Cu  Cu140  1  0.676027  0.407542  0.439999  1
  Cu  Cu141  1  0.890555  0.396937  0.461542  1
  Cu  Cu142  1  0.283160  0.902357  0.450646  1
  Cu  Cu143  1  0.676027  0.907542  0.439999  1
  Cu  Cu144  1  0.890555  0.896937  0.461542  1
  Cu  Cu145  1  0.928020  0.505453  0.494976  1
  Cu  Cu146  1  0.320633  0.510882  0.484052  1
  Cu  Cu147  1  0.713466  0.516110  0.473344  1
  Cu  Cu148  1  0.928020  0.005453  0.494976  1
  Cu  Cu149  1  0.320633  0.010882  0.484052  1
  Cu  Cu150  1  0.713466  0.016110  0.473344  1
  Cu  Cu151  1  0.143739  0.629963  0.496016  1
  Cu  Cu152  1  0.536333  0.635349  0.485091  1
  Cu  Cu153  1  0.929337  0.640592  0.474403  1
  Cu  Cu154  1  0.143739  0.129963  0.496016  1
  Cu  Cu155  1  0.536333  0.135349  0.485091  1
  Cu  Cu156  1  0.929337  0.140592  0.474403  1
  Cu  Cu157  1  0.017219  0.263437  0.478777  1
  Cu  Cu158  1  0.409775  0.268848  0.467862  1
  Cu  Cu159  1  0.624283  0.258144  0.489505  1
  Cu  Cu160  1  0.017219  0.763437  0.478777  1
  Cu  Cu161  1  0.409775  0.768848  0.467862  1
  Cu  Cu162  1  0.624283  0.758144  0.489505  1
  Cu  Cu163  1  0.104966  0.386337  0.483052  1
  Cu  Cu164  1  0.497678  0.391648  0.472306  1
  Cu  Cu165  1  0.712228  0.380949  0.493945  1
  Cu  Cu166  1  0.104966  0.886337  0.483052  1
  Cu  Cu167  1  0.497678  0.891648  0.472306  1
  Cu  Cu168  1  0.712228  0.880949  0.493945  1
  Cu  Cu169  1  0.749607  0.489484  0.527297  1
  Cu  Cu170  1  0.142429  0.494851  0.516545  1
  Cu  Cu171  1  0.535041  0.500199  0.505653  1
  Cu  Cu172  1  0.749607  0.989484  0.527297  1
  Cu  Cu173  1  0.142429  0.994851  0.516545  1
  Cu  Cu174  1  0.535041  1.000199  0.505653  1
  Cu  Cu175  1  0.965436  0.614016  0.528356  1
  Cu  Cu176  1  0.358038  0.619364  0.517570  1
  Cu  Cu177  1  0.750888  0.624660  0.506688  1
  Cu  Cu178  1  0.965436  0.114016  0.528356  1
  Cu  Cu179  1  0.358038  0.119364  0.517570  1
  Cu  Cu180  1  0.750888  0.124660  0.506688  1
  Cu  Cu181  1  0.838868  0.247458  0.511164  1
  Cu  Cu182  1  0.231515  0.252849  0.500317  1
  Cu  Cu183  1  0.445856  0.242223  0.521866  1
  Cu  Cu184  1  0.838868  0.747458  0.511164  1
  Cu  Cu185  1  0.231515  0.752849  0.500317  1
  Cu  Cu186  1  0.445856  0.742223  0.521866  1
  Cu  Cu187  1  0.926727  0.370326  0.515538  1
  Cu  Cu188  1  0.319323  0.375737  0.504624  1
  Cu  Cu189  1  0.533800  0.365015  0.526243  1
  Cu  Cu190  1  0.926727  0.870326  0.515538  1
  Cu  Cu191  1  0.319323  0.875737  0.504624  1
  Cu  Cu192  1  0.533800  0.865015  0.526243  1
  Cu  Cu193  1  0.571105  0.473535  0.559598  1
  Cu  Cu194  1  0.964219  0.478857  0.548982  1
  Cu  Cu195  1  0.356723  0.484251  0.538078  1
  Cu  Cu196  1  0.571105  0.973535  0.559598  1
  Cu  Cu197  1  0.964219  0.978857  0.548982  1
  Cu  Cu198  1  0.356723  0.984251  0.538078  1
  Cu  Cu199  1  0.787099  0.598058  0.560595  1
  Cu  Cu200  1  0.179822  0.603384  0.550030  1
  Cu  Cu201  1  0.572479  0.608700  0.539059  1
  Cu  Cu202  1  0.787099  0.098058  0.560595  1
  Cu  Cu203  1  0.179822  0.103384  0.550030  1
  Cu  Cu204  1  0.572479  0.108700  0.539059  1
  Cu  Cu205  1  0.660453  0.231503  0.543455  1
  Cu  Cu206  1  0.053278  0.236845  0.532806  1
  Cu  Cu207  1  0.267532  0.226258  0.554375  1
  Cu  Cu208  1  0.660453  0.731503  0.543455  1
  Cu  Cu209  1  0.053278  0.736845  0.532806  1
  Cu  Cu210  1  0.267532  0.726258  0.554375  1
  Cu  Cu211  1  0.748383  0.354284  0.547918  1
  Cu  Cu212  1  0.141067  0.359753  0.537072  1
  Cu  Cu213  1  0.355346  0.349133  0.558585  1
  Cu  Cu214  1  0.748383  0.854284  0.547918  1
  Cu  Cu215  1  0.141067  0.859753  0.537072  1
  Cu  Cu216  1  0.355346  0.849133  0.558585  1
  Cu  Cu217  1  0.392721  0.457607  0.592095  1
  Cu  Cu218  1  0.785791  0.462839  0.581213  1
  Cu  Cu219  1  0.178577  0.468247  0.570608  1
  Cu  Cu220  1  0.392721  0.957607  0.592095  1
  Cu  Cu221  1  0.785791  0.962839  0.581213  1
  Cu  Cu222  1  0.178577  0.968247  0.570608  1
  Cu  Cu223  1  0.608806  0.582031  0.592952  1
  Cu  Cu224  1  1.001651  0.587507  0.582323  1
  Cu  Cu225  1  0.394212  0.592741  0.571588  1
  Cu  Cu226  1  0.608806  0.082031  0.592952  1
  Cu  Cu227  1  1.001651  0.087507  0.582323  1
  Cu  Cu228  1  0.394212  0.092741  0.571588  1
  Cu  Cu229  1  0.481961  0.215603  0.575816  1
  Cu  Cu230  1  0.875040  0.220847  0.565180  1
  Cu  Cu231  1  0.089353  0.210264  0.586896  1
  Cu  Cu232  1  0.481961  0.715603  0.575816  1
  Cu  Cu233  1  0.875040  0.720847  0.565180  1
  Cu  Cu234  1  0.089353  0.710264  0.586896  1
  Cu  Cu235  1  0.569832  0.338328  0.580170  1
  Cu  Cu236  1  0.962834  0.343740  0.569571  1
  Cu  Cu237  1  0.176991  0.333218  0.591108  1
  Cu  Cu238  1  0.569832  0.838328  0.580170  1
  Cu  Cu239  1  0.962834  0.843740  0.569571  1
  Cu  Cu240  1  0.176991  0.833218  0.591108  1
  Cu  Cu241  1  0.214531  0.441687  0.624766  1
  Cu  Cu242  1  0.606999  0.446971  0.613468  1
  Cu  Cu243  1  1.000395  0.452358  0.603041  1
  Cu  Cu244  1  0.214531  0.941687  0.624766  1
  Cu  Cu245  1  0.606999  0.946971  0.613468  1
  Cu  Cu246  1  1.000395  0.952358  0.603041  1
  Cu  Cu247  1  0.430930  0.566005  0.625587  1
  Cu  Cu248  1  0.823415  0.571619  0.614426  1
  Cu  Cu249  1  0.216158  0.576834  0.604061  1
  Cu  Cu250  1  0.430930  0.066005  0.625587  1
  Cu  Cu251  1  0.823415  0.071619  0.614426  1
  Cu  Cu252  1  0.216158  0.076834  0.604061  1
  Cu  Cu253  1  0.303630  0.199712  0.608439  1
  Cu  Cu254  1  0.696781  0.204894  0.597406  1
  Cu  Cu255  1  0.911375  0.194256  0.619323  1
  Cu  Cu256  1  0.303630  0.699712  0.608439  1
  Cu  Cu257  1  0.696781  0.704894  0.597406  1
  Cu  Cu258  1  0.911375  0.694256  0.619323  1
  Cu  Cu259  1  0.390938  0.322596  0.612504  1
  Cu  Cu260  1  0.784351  0.327629  0.601947  1
  Cu  Cu261  1  0.998648  0.317241  0.623645  1
  Cu  Cu262  1  0.390938  0.822596  0.612504  1
  Cu  Cu263  1  0.784351  0.827629  0.601947  1
  Cu  Cu264  1  0.998648  0.817241  0.623645  1
  Cu  Cu265  1  0.036314  0.426045  0.657056  1
  Cu  Cu266  1  0.428334  0.431090  0.646111  1
  Cu  Cu267  1  0.821776  0.436234  0.635060  1
  Cu  Cu268  1  0.036314  0.926045  0.657056  1
  Cu  Cu269  1  0.428334  0.931090  0.646111  1
  Cu  Cu270  1  0.821776  0.936234  0.635060  1
  Cu  Cu271  1  0.253190  0.550338  0.657945  1
  Cu  Cu272  1  0.645419  0.555679  0.646840  1
  Cu  Cu273  1  0.038293  0.561274  0.636283  1
  Cu  Cu274  1  0.253190  0.050338  0.657945  1
  Cu  Cu275  1  0.645419  0.055679  0.646840  1
  Cu  Cu276  1  0.038293  0.061274  0.636283  1
  Cu  Cu277  1  0.125302  0.183730  0.641014  1
  Cu  Cu278  1  0.518522  0.188829  0.629636  1
  Cu  Cu279  1  0.733118  0.178436  0.651375  1
  Cu  Cu280  1  0.125302  0.683730  0.641014  1
  Cu  Cu281  1  0.518522  0.688829  0.629636  1
  Cu  Cu282  1  0.733118  0.678436  0.651375  1
  Cu  Cu283  1  0.211846  0.306784  0.645207  1
  Cu  Cu284  1  0.605334  0.311749  0.634121  1
  Cu  Cu285  1  0.819948  0.300868  0.655952  1
  Cu  Cu286  1  0.211846  0.806784  0.645207  1
  Cu  Cu287  1  0.605334  0.811749  0.634121  1
  Cu  Cu288  1  0.819948  0.800868  0.655952  1
  Cu  Cu289  1  0.857826  0.409560  0.688551  1
  Cu  Cu290  1  0.252195  0.414022  0.678779  1
  Cu  Cu291  1  0.643813  0.420050  0.666865  1
  Cu  Cu292  1  0.857826  0.909560  0.688551  1
  Cu  Cu293  1  0.252195  0.914022  0.678779  1
  Cu  Cu294  1  0.643813  0.920050  0.666865  1
  Cu  Cu295  1  0.075483  0.534803  0.689618  1
  Cu  Cu296  1  0.469290  0.538129  0.679522  1
  Cu  Cu297  1  0.859951  0.544785  0.667816  1
  Cu  Cu298  1  0.075483  0.034803  0.689618  1
  Cu  Cu299  1  0.469290  0.038129  0.679522  1
  Cu  Cu300  1  0.859951  0.044785  0.667816  1
  Cu  Cu301  1  0.947401  0.166681  0.673537  1
  Cu  Cu302  1  0.340151  0.172690  0.662256  1
  Cu  Cu303  1  0.555053  0.161951  0.683260  1
  Cu  Cu304  1  0.947401  0.666681  0.673537  1
  Cu  Cu305  1  0.340151  0.672690  0.662256  1
  Cu  Cu306  1  0.555053  0.661951  0.683260  1
  Cu  Cu307  1  0.034475  0.290156  0.677509  1
  Cu  Cu308  1  0.426501  0.295302  0.665981  1
  Cu  Cu309  1  0.640908  0.285068  0.687755  1
  Cu  Cu310  1  0.034475  0.790156  0.677509  1
  Cu  Cu311  1  0.426501  0.795302  0.665981  1
  Cu  Cu312  1  0.640908  0.785068  0.687755  1
  Cu  Cu313  1  0.678482  0.395261  0.718287  1
  Cu  Cu314  1  0.072086  0.399923  0.708927  1
  Cu  Cu315  1  0.464925  0.404068  0.698899  1
  Cu  Cu316  1  0.678482  0.895261  0.718287  1
  Cu  Cu317  1  0.072086  0.899923  0.708927  1
  Cu  Cu318  1  0.464925  0.904068  0.698899  1
  Cu  Cu319  1  0.897040  0.518181  0.718839  1
  Cu  Cu320  1  0.290834  0.523815  0.709602  1
  Cu  Cu321  1  0.681535  0.529432  0.699788  1
  Cu  Cu322  1  0.897040  0.018181  0.718839  1
  Cu  Cu323  1  0.290834  0.023815  0.709602  1
  Cu  Cu324  1  0.681535  0.029432  0.699788  1
  Cu  Cu325  1  0.768043  0.151778  0.703951  1
  Cu  Cu326  1  0.161400  0.157243  0.694008  1
  Cu  Cu327  1  0.376302  0.146768  0.713713  1
  Cu  Cu328  1  0.768043  0.651778  0.703951  1
  Cu  Cu329  1  0.161400  0.657243  0.694008  1
  Cu  Cu330  1  0.376302  0.646768  0.713713  1
  Cu  Cu331  1  0.853379  0.275139  0.708083  1
  Cu  Cu332  1  0.247205  0.279776  0.698017  1
  Cu  Cu333  1  0.459693  0.269730  0.717384  1
  Cu  Cu334  1  0.853379  0.775139  0.708083  1
  Cu  Cu335  1  0.247205  0.779776  0.698017  1
  Cu  Cu336  1  0.459693  0.769730  0.717384  1
