# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.41955075
_cell_length_b   13.41290386
_cell_length_c   46.80431033
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.10593874
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu324
_cell_volume   8402.92585385
_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  0.258540  0.805024  0.319620  1
  Cu  Cu2  1  0.239116  0.517837  0.287123  1
  Cu  Cu3  1  0.416690  0.494391  0.302198  1
  Cu  Cu4  1  0.591873  0.471690  0.319620  1
  Cu  Cu5  1  0.250024  0.161058  0.302198  1
  Cu  Cu6  1  0.425206  0.138357  0.319620  1
  Cu  Cu7  1  0.405783  0.851170  0.287123  1
  Cu  Cu8  1  0.583357  0.827725  0.302198  1
  Cu  Cu9  1  0.758540  0.805024  0.319620  1
  Cu  Cu10  1  0.739116  0.517837  0.287123  1
  Cu  Cu11  1  0.916690  0.494391  0.302198  1
  Cu  Cu12  1  0.091873  0.471690  0.319620  1
  Cu  Cu13  1  0.572450  0.184504  0.287123  1
  Cu  Cu14  1  0.750024  0.161058  0.302198  1
  Cu  Cu15  1  0.925206  0.138357  0.319620  1
  Cu  Cu16  1  0.905783  0.851170  0.287123  1
  Cu  Cu17  1  0.083357  0.827725  0.302198  1
  Cu  Cu18  1  0.072450  0.184504  0.287123  1
  Cu  Cu19  1  0.288201  0.699928  0.277646  1
  Cu  Cu20  1  0.296697  0.342117  0.292505  1
  Cu  Cu21  1  0.472216  0.318635  0.308368  1
  Cu  Cu22  1  0.621534  0.366594  0.277646  1
  Cu  Cu23  1  0.305549  0.985302  0.308368  1
  Cu  Cu24  1  0.454867  0.033261  0.277646  1
  Cu  Cu25  1  0.463364  0.675450  0.292505  1
  Cu  Cu26  1  0.638883  0.651968  0.308368  1
  Cu  Cu27  1  0.788201  0.699928  0.277646  1
  Cu  Cu28  1  0.796697  0.342117  0.292505  1
  Cu  Cu29  1  0.972216  0.318635  0.308368  1
  Cu  Cu30  1  0.121534  0.366594  0.277646  1
  Cu  Cu31  1  0.630030  0.008783  0.292505  1
  Cu  Cu32  1  0.805549  0.985302  0.308368  1
  Cu  Cu33  1  0.954867  0.033261  0.277646  1
  Cu  Cu34  1  0.963364  0.675450  0.292505  1
  Cu  Cu35  1  0.138883  0.651968  0.308368  1
  Cu  Cu36  1  0.130030  0.008783  0.292505  1
  Cu  Cu37  1  0.289216  0.735163  0.369362  1
  Cu  Cu38  1  0.269320  0.447770  0.335887  1
  Cu  Cu39  1  0.445375  0.424542  0.352359  1
  Cu  Cu40  1  0.622550  0.401830  0.369362  1
  Cu  Cu41  1  0.278709  0.091208  0.352359  1
  Cu  Cu42  1  0.455883  0.068497  0.369362  1
  Cu  Cu43  1  0.435987  0.781104  0.335887  1
  Cu  Cu44  1  0.612042  0.757875  0.352359  1
  Cu  Cu45  1  0.789216  0.735163  0.369362  1
  Cu  Cu46  1  0.769320  0.447770  0.335887  1
  Cu  Cu47  1  0.945375  0.424542  0.352359  1
  Cu  Cu48  1  0.122550  0.401830  0.369362  1
  Cu  Cu49  1  0.602654  0.114437  0.335887  1
  Cu  Cu50  1  0.778709  0.091208  0.352359  1
  Cu  Cu51  1  0.955883  0.068497  0.369362  1
  Cu  Cu52  1  0.935987  0.781104  0.335887  1
  Cu  Cu53  1  0.112042  0.757875  0.352359  1
  Cu  Cu54  1  0.102654  0.114437  0.335887  1
  Cu  Cu55  1  0.317213  0.629375  0.325689  1
  Cu  Cu56  1  0.326513  0.272955  0.341937  1
  Cu  Cu57  1  0.503787  0.250276  0.358333  1
  Cu  Cu58  1  0.650546  0.296042  0.325689  1
  Cu  Cu59  1  0.337120  0.916942  0.358333  1
  Cu  Cu60  1  0.483880  0.962708  0.325689  1
  Cu  Cu61  1  0.493179  0.606288  0.341937  1
  Cu  Cu62  1  0.670453  0.583609  0.358333  1
  Cu  Cu63  1  0.817213  0.629375  0.325689  1
  Cu  Cu64  1  0.826513  0.272955  0.341937  1
  Cu  Cu65  1  1.003787  0.250276  0.358333  1
  Cu  Cu66  1  0.150546  0.296042  0.325689  1
  Cu  Cu67  1  0.659846  0.939622  0.341937  1
  Cu  Cu68  1  0.837120  0.916942  0.358333  1
  Cu  Cu69  1  0.983880  0.962708  0.325689  1
  Cu  Cu70  1  0.993179  0.606288  0.341937  1
  Cu  Cu71  1  0.170453  0.583609  0.358333  1
  Cu  Cu72  1  0.159846  0.939622  0.341937  1
  Cu  Cu73  1  0.319809  0.665454  0.419504  1
  Cu  Cu74  1  0.299341  0.378299  0.386059  1
  Cu  Cu75  1  0.476191  0.355224  0.402688  1
  Cu  Cu76  1  0.653143  0.332121  0.419504  1
  Cu  Cu77  1  0.309524  0.021891  0.402688  1
  Cu  Cu78  1  0.486476  0.998787  0.419504  1
  Cu  Cu79  1  0.466007  0.711632  0.386059  1
  Cu  Cu80  1  0.642857  0.688558  0.402688  1
  Cu  Cu81  1  0.819809  0.665454  0.419504  1
  Cu  Cu82  1  0.799341  0.378299  0.386059  1
  Cu  Cu83  1  0.976191  0.355224  0.402688  1
  Cu  Cu84  1  0.153143  0.332121  0.419504  1
  Cu  Cu85  1  0.632674  0.044966  0.386059  1
  Cu  Cu86  1  0.809524  0.021891  0.402688  1
  Cu  Cu87  1  0.986476  0.998787  0.419504  1
  Cu  Cu88  1  0.966007  0.711632  0.386059  1
  Cu  Cu89  1  0.142857  0.688558  0.402688  1
  Cu  Cu90  1  0.132674  0.044966  0.386059  1
  Cu  Cu91  1  0.347108  0.559860  0.375267  1
  Cu  Cu92  1  0.357343  0.203525  0.391791  1
  Cu  Cu93  1  0.534170  0.180643  0.408546  1
  Cu  Cu94  1  0.680441  0.226527  0.375267  1
  Cu  Cu95  1  0.367503  0.847310  0.408546  1
  Cu  Cu96  1  0.513774  0.893194  0.375267  1
  Cu  Cu97  1  0.524010  0.536858  0.391791  1
  Cu  Cu98  1  0.700837  0.513977  0.408546  1
  Cu  Cu99  1  0.847108  0.559860  0.375267  1
  Cu  Cu100  1  0.857343  0.203525  0.391791  1
  Cu  Cu101  1  0.034170  0.180643  0.408546  1
  Cu  Cu102  1  0.180441  0.226527  0.375267  1
  Cu  Cu103  1  0.690677  0.870191  0.391791  1
  Cu  Cu104  1  0.867503  0.847310  0.408546  1
  Cu  Cu105  1  0.013774  0.893194  0.375267  1
  Cu  Cu106  1  0.024010  0.536858  0.391791  1
  Cu  Cu107  1  0.200837  0.513977  0.408546  1
  Cu  Cu108  1  0.190677  0.870191  0.391791  1
  Cu  Cu109  1  0.350600  0.596013  0.469639  1
  Cu  Cu110  1  0.330103  0.308877  0.436188  1
  Cu  Cu111  1  0.506980  0.285813  0.452909  1
  Cu  Cu112  1  0.683934  0.262679  0.469639  1
  Cu  Cu113  1  0.340313  0.952480  0.452909  1
  Cu  Cu114  1  0.517267  0.929346  0.469639  1
  Cu  Cu115  1  0.496769  0.642211  0.436188  1
  Cu  Cu116  1  0.673647  0.619146  0.452909  1
  Cu  Cu117  1  0.850600  0.596013  0.469639  1
  Cu  Cu118  1  0.830103  0.308877  0.436188  1
  Cu  Cu119  1  0.006980  0.285813  0.452909  1
  Cu  Cu120  1  0.183934  0.262679  0.469639  1
  Cu  Cu121  1  0.663436  0.975544  0.436188  1
  Cu  Cu122  1  0.840313  0.952480  0.452909  1
  Cu  Cu123  1  0.017267  0.929346  0.469639  1
  Cu  Cu124  1  0.996769  0.642211  0.436188  1
  Cu  Cu125  1  0.173647  0.619146  0.452909  1
  Cu  Cu126  1  0.163436  0.975544  0.436188  1
  Cu  Cu127  1  0.377788  0.490699  0.425287  1
  Cu  Cu128  1  0.387994  0.134262  0.441948  1
  Cu  Cu129  1  0.564931  0.111178  0.458675  1
  Cu  Cu130  1  0.711121  0.157365  0.425287  1
  Cu  Cu131  1  0.398265  0.777845  0.458675  1
  Cu  Cu132  1  0.544455  0.824032  0.425287  1
  Cu  Cu133  1  0.554661  0.467595  0.441948  1
  Cu  Cu134  1  0.731598  0.444512  0.458675  1
  Cu  Cu135  1  0.877788  0.490699  0.425287  1
  Cu  Cu136  1  0.887994  0.134262  0.441948  1
  Cu  Cu137  1  0.064931  0.111178  0.458675  1
  Cu  Cu138  1  0.211121  0.157365  0.425287  1
  Cu  Cu139  1  0.721328  0.800929  0.441948  1
  Cu  Cu140  1  0.898265  0.777845  0.458675  1
  Cu  Cu141  1  0.044455  0.824032  0.425287  1
  Cu  Cu142  1  0.054661  0.467595  0.441948  1
  Cu  Cu143  1  0.231598  0.444512  0.458675  1
  Cu  Cu144  1  0.221328  0.800929  0.441948  1
  Cu  Cu145  1  0.381389  0.526627  0.519769  1
  Cu  Cu146  1  0.360858  0.239514  0.486342  1
  Cu  Cu147  1  0.537786  0.216406  0.503064  1
  Cu  Cu148  1  0.714723  0.193294  0.519769  1
  Cu  Cu149  1  0.371119  0.883072  0.503064  1
  Cu  Cu150  1  0.548056  0.859960  0.519769  1
  Cu  Cu151  1  0.527525  0.572847  0.486342  1
  Cu  Cu152  1  0.704453  0.549739  0.503064  1
  Cu  Cu153  1  0.881389  0.526627  0.519769  1
  Cu  Cu154  1  0.860858  0.239514  0.486342  1
  Cu  Cu155  1  0.037786  0.216406  0.503064  1
  Cu  Cu156  1  0.214723  0.193294  0.519769  1
  Cu  Cu157  1  0.694191  0.906181  0.486342  1
  Cu  Cu158  1  0.871119  0.883072  0.503064  1
  Cu  Cu159  1  0.048056  0.859960  0.519769  1
  Cu  Cu160  1  0.027525  0.572847  0.486342  1
  Cu  Cu161  1  0.204453  0.549739  0.503064  1
  Cu  Cu162  1  0.194191  0.906181  0.486342  1
  Cu  Cu163  1  0.408514  0.421347  0.475391  1
  Cu  Cu164  1  0.418784  0.064902  0.492096  1
  Cu  Cu165  1  0.595712  0.041794  0.508818  1
  Cu  Cu166  1  0.741847  0.088014  0.475391  1
  Cu  Cu167  1  0.429045  0.708460  0.508818  1
  Cu  Cu168  1  0.575180  0.754681  0.475391  1
  Cu  Cu169  1  0.585450  0.398236  0.492096  1
  Cu  Cu170  1  0.762378  0.375127  0.508818  1
  Cu  Cu171  1  0.908514  0.421347  0.475391  1
  Cu  Cu172  1  0.918784  0.064902  0.492096  1
  Cu  Cu173  1  0.095712  0.041794  0.508818  1
  Cu  Cu174  1  0.241847  0.088014  0.475391  1
  Cu  Cu175  1  0.752117  0.731569  0.492096  1
  Cu  Cu176  1  0.929045  0.708460  0.508818  1
  Cu  Cu177  1  0.075180  0.754681  0.475391  1
  Cu  Cu178  1  0.085450  0.398236  0.492096  1
  Cu  Cu179  1  0.262378  0.375127  0.508818  1
  Cu  Cu180  1  0.252117  0.731569  0.492096  1
  Cu  Cu181  1  0.412115  0.457276  0.569873  1
  Cu  Cu182  1  0.391638  0.170129  0.536485  1
  Cu  Cu183  1  0.568575  0.147046  0.553212  1
  Cu  Cu184  1  0.745448  0.123943  0.569873  1
  Cu  Cu185  1  0.401909  0.813712  0.553212  1
  Cu  Cu186  1  0.578782  0.790609  0.569873  1
  Cu  Cu187  1  0.558305  0.503463  0.536485  1
  Cu  Cu188  1  0.735242  0.480379  0.553212  1
  Cu  Cu189  1  0.912115  0.457276  0.569873  1
  Cu  Cu190  1  0.891638  0.170129  0.536485  1
  Cu  Cu191  1  0.068575  0.147046  0.553212  1
  Cu  Cu192  1  0.245448  0.123943  0.569873  1
  Cu  Cu193  1  0.724972  0.836796  0.536485  1
  Cu  Cu194  1  0.901909  0.813712  0.553212  1
  Cu  Cu195  1  0.078782  0.790609  0.569873  1
  Cu  Cu196  1  0.058305  0.503463  0.536485  1
  Cu  Cu197  1  0.235242  0.480379  0.553212  1
  Cu  Cu198  1  0.224972  0.836796  0.536485  1
  Cu  Cu199  1  0.439302  0.351962  0.525521  1
  Cu  Cu200  1  0.449590  0.995495  0.542251  1
  Cu  Cu201  1  0.626467  0.972430  0.558973  1
  Cu  Cu202  1  0.772636  0.018628  0.525521  1
  Cu  Cu203  1  0.459800  0.639097  0.558973  1
  Cu  Cu204  1  0.605969  0.685295  0.525521  1
  Cu  Cu205  1  0.616256  0.328828  0.542251  1
  Cu  Cu206  1  0.793133  0.305764  0.558973  1
  Cu  Cu207  1  0.939302  0.351962  0.525521  1
  Cu  Cu208  1  0.949590  0.995495  0.542251  1
  Cu  Cu209  1  0.126467  0.972430  0.558973  1
  Cu  Cu210  1  0.272636  0.018628  0.525521  1
  Cu  Cu211  1  0.782923  0.662162  0.542251  1
  Cu  Cu212  1  0.959800  0.639097  0.558973  1
  Cu  Cu213  1  0.105969  0.685295  0.525521  1
  Cu  Cu214  1  0.116256  0.328828  0.542251  1
  Cu  Cu215  1  0.293133  0.305764  0.558973  1
  Cu  Cu216  1  0.282923  0.662162  0.542251  1
  Cu  Cu217  1  0.442795  0.388114  0.619893  1
  Cu  Cu218  1  0.422400  0.100665  0.586614  1
  Cu  Cu219  1  0.599226  0.077783  0.603369  1
  Cu  Cu220  1  0.776129  0.054781  0.619893  1
  Cu  Cu221  1  0.432560  0.744450  0.603369  1
  Cu  Cu222  1  0.609462  0.721447  0.619893  1
  Cu  Cu223  1  0.589066  0.433998  0.586614  1
  Cu  Cu224  1  0.765893  0.411117  0.603369  1
  Cu  Cu225  1  0.942795  0.388114  0.619893  1
  Cu  Cu226  1  0.922400  0.100665  0.586614  1
  Cu  Cu227  1  0.099226  0.077783  0.603369  1
  Cu  Cu228  1  0.276129  0.054781  0.619893  1
  Cu  Cu229  1  0.755733  0.767331  0.586614  1
  Cu  Cu230  1  0.932560  0.744450  0.603369  1
  Cu  Cu231  1  0.109462  0.721447  0.619893  1
  Cu  Cu232  1  0.089066  0.433998  0.586614  1
  Cu  Cu233  1  0.265893  0.411117  0.603369  1
  Cu  Cu234  1  0.255733  0.767331  0.586614  1
  Cu  Cu235  1  0.470094  0.282520  0.575656  1
  Cu  Cu236  1  0.480379  0.926084  0.592472  1
  Cu  Cu237  1  0.657229  0.903009  0.609102  1
  Cu  Cu238  1  0.803427  0.949187  0.575656  1
  Cu  Cu239  1  0.490562  0.569676  0.609102  1
  Cu  Cu240  1  0.636760  0.615854  0.575656  1
  Cu  Cu241  1  0.647046  0.259417  0.592472  1
  Cu  Cu242  1  0.823896  0.236342  0.609102  1
  Cu  Cu243  1  0.970094  0.282520  0.575656  1
  Cu  Cu244  1  0.980379  0.926084  0.592472  1
  Cu  Cu245  1  0.157229  0.903009  0.609102  1
  Cu  Cu246  1  0.303427  0.949187  0.575656  1
  Cu  Cu247  1  0.813712  0.592750  0.592472  1
  Cu  Cu248  1  0.990562  0.569676  0.609102  1
  Cu  Cu249  1  0.136760  0.615854  0.575656  1
  Cu  Cu250  1  0.147046  0.259417  0.592472  1
  Cu  Cu251  1  0.323896  0.236342  0.609102  1
  Cu  Cu252  1  0.313712  0.592750  0.592472  1
  Cu  Cu253  1  0.472690  0.318599  0.669471  1
  Cu  Cu254  1  0.452783  0.031032  0.636827  1
  Cu  Cu255  1  0.630057  0.008353  0.653224  1
  Cu  Cu256  1  0.806023  0.985266  0.669471  1
  Cu  Cu257  1  0.463390  0.675020  0.653224  1
  Cu  Cu258  1  0.639356  0.651933  0.669471  1
  Cu  Cu259  1  0.619450  0.364366  0.636827  1
  Cu  Cu260  1  0.796723  0.341686  0.653224  1
  Cu  Cu261  1  0.972690  0.318599  0.669471  1
  Cu  Cu262  1  0.952783  0.031032  0.636827  1
  Cu  Cu263  1  0.130057  0.008353  0.653224  1
  Cu  Cu264  1  0.306023  0.985266  0.669471  1
  Cu  Cu265  1  0.786116  0.697699  0.636827  1
  Cu  Cu266  1  0.963390  0.675020  0.653224  1
  Cu  Cu267  1  0.139356  0.651933  0.669471  1
  Cu  Cu268  1  0.119450  0.364366  0.636827  1
  Cu  Cu269  1  0.296723  0.341686  0.653224  1
  Cu  Cu270  1  0.286116  0.697699  0.636827  1
  Cu  Cu271  1  0.500686  0.212811  0.625798  1
  Cu  Cu272  1  0.511194  0.856766  0.642801  1
  Cu  Cu273  1  0.687249  0.833538  0.659274  1
  Cu  Cu274  1  0.834020  0.879478  0.625798  1
  Cu  Cu275  1  0.520583  0.500204  0.659274  1
  Cu  Cu276  1  0.667353  0.546144  0.625798  1
  Cu  Cu277  1  0.677861  0.190099  0.642801  1
  Cu  Cu278  1  0.853916  0.166871  0.659274  1
  Cu  Cu279  1  1.000686  0.212811  0.625798  1
  Cu  Cu280  1  0.011194  0.856766  0.642801  1
  Cu  Cu281  1  0.187249  0.833538  0.659274  1
  Cu  Cu282  1  0.334020  0.879478  0.625798  1
  Cu  Cu283  1  0.844528  0.523433  0.642801  1
  Cu  Cu284  1  0.020583  0.500204  0.659274  1
  Cu  Cu285  1  0.167353  0.546144  0.625798  1
  Cu  Cu286  1  0.177861  0.190099  0.642801  1
  Cu  Cu287  1  0.353916  0.166871  0.659274  1
  Cu  Cu288  1  0.344528  0.523433  0.642801  1
  Cu  Cu289  1  0.501702  0.248047  0.717514  1
  Cu  Cu290  1  0.484354  0.962673  0.686792  1
  Cu  Cu291  1  0.659873  0.939191  0.702655  1
  Cu  Cu292  1  0.835036  0.914714  0.717514  1
  Cu  Cu293  1  0.493206  0.605858  0.702655  1
  Cu  Cu294  1  0.668369  0.581380  0.717514  1
  Cu  Cu295  1  0.651020  0.296006  0.686792  1
  Cu  Cu296  1  0.826539  0.272525  0.702655  1
  Cu  Cu297  1  1.001702  0.248047  0.717514  1
  Cu  Cu298  1  0.984354  0.962673  0.686792  1
  Cu  Cu299  1  0.159873  0.939191  0.702655  1
  Cu  Cu300  1  0.335036  0.914714  0.717514  1
  Cu  Cu301  1  0.817687  0.629339  0.686792  1
  Cu  Cu302  1  0.993206  0.605858  0.702655  1
  Cu  Cu303  1  0.168369  0.581380  0.717514  1
  Cu  Cu304  1  0.151020  0.296006  0.686792  1
  Cu  Cu305  1  0.326539  0.272525  0.702655  1
  Cu  Cu306  1  0.317687  0.629339  0.686792  1
  Cu  Cu307  1  0.531363  0.142951  0.675540  1
  Cu  Cu308  1  0.539879  0.786917  0.692962  1
  Cu  Cu309  1  0.717453  0.763471  0.708037  1
  Cu  Cu310  1  0.864697  0.809617  0.675540  1
  Cu  Cu311  1  0.550787  0.430137  0.708037  1
  Cu  Cu312  1  0.698030  0.476284  0.675540  1
  Cu  Cu313  1  0.706546  0.120250  0.692962  1
  Cu  Cu314  1  0.884120  0.096804  0.708037  1
  Cu  Cu315  1  0.031363  0.142951  0.675540  1
  Cu  Cu316  1  0.039879  0.786917  0.692962  1
  Cu  Cu317  1  0.217453  0.763471  0.708037  1
  Cu  Cu318  1  0.364697  0.809617  0.675540  1
  Cu  Cu319  1  0.873213  0.453583  0.692962  1
  Cu  Cu320  1  0.050787  0.430137  0.708037  1
  Cu  Cu321  1  0.198030  0.476284  0.675540  1
  Cu  Cu322  1  0.206546  0.120250  0.692962  1
  Cu  Cu323  1  0.384120  0.096804  0.708037  1
  Cu  Cu324  1  0.373213  0.453583  0.692962  1
