# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.18715241
_cell_length_b   12.96370680
_cell_length_c   46.24525533
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu216
_cell_volume   5617.89802721
_cell_formula_units_Z   216
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  0.664513  0.324754  0.284290  1
  Cu  Cu2  1  0.164727  0.324813  0.284296  1
  Cu  Cu3  1  0.801101  0.594728  0.316279  1
  Cu  Cu4  1  0.232148  0.959796  0.299914  1
  Cu  Cu5  1  0.298019  0.594724  0.316288  1
  Cu  Cu6  1  0.731737  0.958945  0.299815  1
  Cu  Cu7  1  0.698914  0.142395  0.291850  1
  Cu  Cu8  1  0.197609  0.141888  0.291830  1
  Cu  Cu9  1  0.833157  0.414294  0.324785  1
  Cu  Cu10  1  0.265596  0.777248  0.307970  1
  Cu  Cu11  1  0.627458  0.504182  0.277289  1
  Cu  Cu12  1  0.764992  0.775128  0.307454  1
  Cu  Cu13  1  0.448776  0.141867  0.291826  1
  Cu  Cu14  1  0.948020  0.142412  0.291854  1
  Cu  Cu15  1  0.582430  0.412762  0.325525  1
  Cu  Cu16  1  0.016116  0.777250  0.307974  1
  Cu  Cu17  1  0.381148  0.504201  0.277293  1
  Cu  Cu18  1  0.514597  0.775121  0.307449  1
  Cu  Cu19  1  0.914843  0.325243  0.284653  1
  Cu  Cu20  1  0.413761  0.323046  0.284015  1
  Cu  Cu21  1  0.048949  0.593501  0.315446  1
  Cu  Cu22  1  0.482353  0.959312  0.299860  1
  Cu  Cu23  1  0.550075  0.595747  0.317190  1
  Cu  Cu24  1  0.981481  0.959323  0.299867  1
  Cu  Cu25  1  0.367456  0.230564  0.333111  1
  Cu  Cu26  1  0.868181  0.232020  0.333147  1
  Cu  Cu27  1  0.504487  0.504754  0.366790  1
  Cu  Cu28  1  0.935495  0.867238  0.349089  1
  Cu  Cu29  1  0.004415  0.504635  0.366011  1
  Cu  Cu30  1  0.436018  0.867236  0.349080  1
  Cu  Cu31  1  0.402063  0.049207  0.341105  1
  Cu  Cu32  1  0.901609  0.049452  0.341050  1
  Cu  Cu33  1  0.537934  0.321873  0.374946  1
  Cu  Cu34  1  0.970817  0.685802  0.357449  1
  Cu  Cu35  1  0.334698  0.412763  0.325530  1
  Cu  Cu36  1  0.469366  0.686210  0.357734  1
  Cu  Cu37  1  0.151462  0.049210  0.341112  1
  Cu  Cu38  1  0.652167  0.049450  0.341043  1
  Cu  Cu39  1  0.288110  0.321863  0.374955  1
  Cu  Cu40  1  0.721095  0.686215  0.357737  1
  Cu  Cu41  1  0.085485  0.414291  0.324792  1
  Cu  Cu42  1  0.219205  0.685798  0.357446  1
  Cu  Cu43  1  0.618017  0.231370  0.333097  1
  Cu  Cu44  1  0.117701  0.231375  0.333105  1
  Cu  Cu45  1  0.754417  0.504732  0.366388  1
  Cu  Cu46  1  0.185991  0.867713  0.349253  1
  Cu  Cu47  1  0.254515  0.504717  0.366393  1
  Cu  Cu48  1  0.685510  0.866741  0.348917  1
  Cu  Cu49  1  0.071858  0.139931  0.382960  1
  Cu  Cu50  1  0.572222  0.139943  0.382944  1
  Cu  Cu51  1  0.208447  0.412830  0.416507  1
  Cu  Cu52  1  0.640156  0.776220  0.399418  1
  Cu  Cu53  1  0.708408  0.412853  0.416497  1
  Cu  Cu54  1  0.140170  0.776279  0.399431  1
  Cu  Cu55  1  0.105825  0.957873  0.391117  1
  Cu  Cu56  1  0.606108  0.957785  0.390989  1
  Cu  Cu57  1  0.242220  0.230473  0.424865  1
  Cu  Cu58  1  0.674657  0.594908  0.408162  1
  Cu  Cu59  1  0.038535  0.322682  0.374657  1
  Cu  Cu60  1  0.174218  0.594727  0.407917  1
  Cu  Cu61  1  0.855789  0.957777  0.391002  1
  Cu  Cu62  1  0.356150  0.957881  0.391105  1
  Cu  Cu63  1  0.992402  0.230810  0.424752  1
  Cu  Cu64  1  0.424311  0.594897  0.408157  1
  Cu  Cu65  1  0.788327  0.322693  0.374648  1
  Cu  Cu66  1  0.924547  0.594738  0.407922  1
  Cu  Cu67  1  0.321872  0.139611  0.382999  1
  Cu  Cu68  1  0.822194  0.140235  0.382923  1
  Cu  Cu69  1  0.458374  0.412718  0.416658  1
  Cu  Cu70  1  0.890483  0.776260  0.399437  1
  Cu  Cu71  1  0.958470  0.412941  0.416353  1
  Cu  Cu72  1  0.389853  0.776261  0.399420  1
  Cu  Cu73  1  0.776301  0.048634  0.432956  1
  Cu  Cu74  1  0.276195  0.048470  0.433051  1
  Cu  Cu75  1  0.912564  0.321321  0.466546  1
  Cu  Cu76  1  0.344348  0.685102  0.449762  1
  Cu  Cu77  1  0.412489  0.321152  0.466671  1
  Cu  Cu78  1  0.844642  0.685108  0.449796  1
  Cu  Cu79  1  0.810347  0.866735  0.441291  1
  Cu  Cu80  1  0.310323  0.866780  0.441323  1
  Cu  Cu81  1  0.946527  0.139291  0.474885  1
  Cu  Cu82  1  0.378520  0.503224  0.458290  1
  Cu  Cu83  1  0.742403  0.230828  0.424735  1
  Cu  Cu84  1  0.878565  0.503245  0.458180  1
  Cu  Cu85  1  0.560326  0.866756  0.441266  1
  Cu  Cu86  1  0.060349  0.866760  0.441348  1
  Cu  Cu87  1  0.696599  0.139331  0.474851  1
  Cu  Cu88  1  0.128486  0.503223  0.458174  1
  Cu  Cu89  1  0.492231  0.230490  0.424848  1
  Cu  Cu90  1  0.628601  0.503247  0.458296  1
  Cu  Cu91  1  0.026122  0.048538  0.433016  1
  Cu  Cu92  1  0.526377  0.048573  0.432985  1
  Cu  Cu93  1  0.162521  0.321224  0.466621  1
  Cu  Cu94  1  0.594536  0.685153  0.449819  1
  Cu  Cu95  1  0.662535  0.321256  0.466593  1
  Cu  Cu96  1  0.094454  0.685055  0.449735  1
  Cu  Cu97  1  0.480606  0.957396  0.483153  1
  Cu  Cu98  1  0.980501  0.957311  0.483211  1
  Cu  Cu99  1  0.616782  0.229914  0.516740  1
  Cu  Cu100  1  0.048598  0.593604  0.499947  1
  Cu  Cu101  1  0.116733  0.229873  0.516806  1
  Cu  Cu102  1  0.548712  0.593642  0.500008  1
  Cu  Cu103  1  0.514610  0.775545  0.491524  1
  Cu  Cu104  1  0.014629  0.775487  0.491584  1
  Cu  Cu105  1  0.650877  0.048076  0.525013  1
  Cu  Cu106  1  0.082647  0.411729  0.508379  1
  Cu  Cu107  1  0.446507  0.139209  0.474909  1
  Cu  Cu108  1  0.582737  0.411731  0.508426  1
  Cu  Cu109  1  0.264574  0.775515  0.491530  1
  Cu  Cu110  1  0.764663  0.775517  0.491577  1
  Cu  Cu111  1  0.400803  0.048036  0.525047  1
  Cu  Cu112  1  0.832681  0.411759  0.508373  1
  Cu  Cu113  1  0.196433  0.139170  0.474943  1
  Cu  Cu114  1  0.332701  0.411701  0.508432  1
  Cu  Cu115  1  0.730577  0.957373  0.483151  1
  Cu  Cu116  1  0.230528  0.957331  0.483217  1
  Cu  Cu117  1  0.866809  0.229935  0.516745  1
  Cu  Cu118  1  0.298598  0.593604  0.499948  1
  Cu  Cu119  1  0.366705  0.229849  0.516803  1
  Cu  Cu120  1  0.798712  0.593642  0.500009  1
  Cu  Cu121  1  0.184775  0.865990  0.533364  1
  Cu  Cu122  1  0.684790  0.866021  0.533335  1
  Cu  Cu123  1  0.320933  0.138673  0.566971  1
  Cu  Cu124  1  0.752857  0.502191  0.550221  1
  Cu  Cu125  1  0.821188  0.138708  0.566941  1
  Cu  Cu126  1  0.252775  0.502093  0.550137  1
  Cu  Cu127  1  0.218709  0.683999  0.541660  1
  Cu  Cu128  1  0.718824  0.684023  0.541783  1
  Cu  Cu129  1  0.355079  0.956756  0.575108  1
  Cu  Cu130  1  0.786961  0.320486  0.558608  1
  Cu  Cu131  1  0.150711  0.047915  0.525105  1
  Cu  Cu132  1  0.286984  0.320490  0.558690  1
  Cu  Cu133  1  0.968745  0.684000  0.541777  1
  Cu  Cu134  1  0.468790  0.684022  0.541666  1
  Cu  Cu135  1  0.104908  0.956418  0.575222  1
  Cu  Cu136  1  0.536988  0.320466  0.558633  1
  Cu  Cu137  1  0.900783  0.047955  0.525071  1
  Cu  Cu138  1  0.036963  0.320510  0.558665  1
  Cu  Cu139  1  0.434822  0.866094  0.533285  1
  Cu  Cu140  1  0.934747  0.865925  0.533411  1
  Cu  Cu141  1  0.571116  0.138776  0.566906  1
  Cu  Cu142  1  1.002668  0.502138  0.550161  1
  Cu  Cu143  1  0.071009  0.138612  0.567001  1
  Cu  Cu144  1  0.502963  0.502144  0.550194  1
  Cu  Cu145  1  0.888840  0.774305  0.583603  1
  Cu  Cu146  1  0.388937  0.774527  0.583299  1
  Cu  Cu147  1  0.025117  0.047011  0.617033  1
  Cu  Cu148  1  0.457457  0.410985  0.600536  1
  Cu  Cu149  1  0.525438  0.047635  0.616957  1
  Cu  Cu150  1  0.956827  0.410985  0.600519  1
  Cu  Cu151  1  0.922763  0.592507  0.592035  1
  Cu  Cu152  1  0.422999  0.592349  0.591799  1
  Cu  Cu153  1  0.058983  0.864553  0.625308  1
  Cu  Cu154  1  0.491160  0.229365  0.608851  1
  Cu  Cu155  1  0.854908  0.956436  0.575204  1
  Cu  Cu156  1  0.991522  0.229469  0.608954  1
  Cu  Cu157  1  0.673093  0.592518  0.592040  1
  Cu  Cu158  1  0.172654  0.592338  0.591794  1
  Cu  Cu159  1  0.808776  0.864564  0.625299  1
  Cu  Cu160  1  0.241203  0.229460  0.608967  1
  Cu  Cu161  1  0.605090  0.956773  0.575091  1
  Cu  Cu162  1  0.741485  0.229373  0.608839  1
  Cu  Cu163  1  0.138902  0.774393  0.583460  1
  Cu  Cu164  1  0.638863  0.774416  0.583449  1
  Cu  Cu165  1  0.275088  0.047303  0.617012  1
  Cu  Cu166  1  0.707141  0.410966  0.600526  1
  Cu  Cu167  1  0.775452  0.047315  0.616996  1
  Cu  Cu168  1  0.207154  0.411025  0.600538  1
  Cu  Cu169  1  0.592795  0.682528  0.633563  1
  Cu  Cu170  1  0.092894  0.682514  0.633569  1
  Cu  Cu171  1  0.729609  0.955871  0.666851  1
  Cu  Cu172  1  0.161800  0.320505  0.651039  1
  Cu  Cu173  1  0.229294  0.955876  0.666859  1
  Cu  Cu174  1  0.661319  0.319533  0.650703  1
  Cu  Cu175  1  0.628105  0.501447  0.642510  1
  Cu  Cu176  1  0.126215  0.501030  0.642220  1
  Cu  Cu177  1  0.761825  0.772955  0.675164  1
  Cu  Cu178  1  0.195144  0.137796  0.658913  1
  Cu  Cu179  1  0.559201  0.865383  0.625002  1
  Cu  Cu180  1  0.695849  0.138036  0.658845  1
  Cu  Cu181  1  0.377944  0.501036  0.642223  1
  Cu  Cu182  1  0.876493  0.501444  0.642508  1
  Cu  Cu183  1  0.512612  0.774483  0.674426  1
  Cu  Cu184  1  0.945701  0.137794  0.658906  1
  Cu  Cu185  1  0.309376  0.865373  0.625010  1
  Cu  Cu186  1  0.445247  0.138039  0.658851  1
  Cu  Cu187  1  0.842895  0.682611  0.633945  1
  Cu  Cu188  1  0.342823  0.682491  0.633167  1
  Cu  Cu189  1  0.979129  0.955226  0.666809  1
  Cu  Cu190  1  0.411292  0.320010  0.650876  1
  Cu  Cu191  1  0.479855  0.956682  0.666845  1
  Cu  Cu192  1  0.911816  0.320008  0.650867  1
  Cu  Cu193  1  0.297235  0.591499  0.682766  1
  Cu  Cu194  1  0.798361  0.593745  0.684510  1
  Cu  Cu195  1  0.433550  0.864200  0.715942  1
  Cu  Cu196  1  0.865830  0.227923  0.700090  1
  Cu  Cu197  1  0.932468  0.862003  0.715303  1
  Cu  Cu198  1  0.364957  0.227934  0.700096  1
  Cu  Cu199  1  0.332713  0.412125  0.692507  1
  Cu  Cu200  1  0.831195  0.409996  0.691982  1
  Cu  Cu201  1  0.466162  0.683045  0.722663  1
  Cu  Cu202  1  0.899290  0.044833  0.708102  1
  Cu  Cu203  1  0.264881  0.774484  0.674431  1
  Cu  Cu204  1  0.398534  0.045379  0.708131  1
  Cu  Cu205  1  0.082318  0.412118  0.692503  1
  Cu  Cu206  1  0.581714  0.409998  0.691986  1
  Cu  Cu207  1  0.219852  0.683064  0.722667  1
  Cu  Cu208  1  0.649701  0.045358  0.708126  1
  Cu  Cu209  1  0.014153  0.772952  0.675171  1
  Cu  Cu210  1  0.148396  0.044851  0.708107  1
  Cu  Cu211  1  0.549291  0.592521  0.683668  1
  Cu  Cu212  1  0.046209  0.592518  0.683678  1
  Cu  Cu213  1  0.682583  0.862432  0.715661  1
  Cu  Cu214  1  0.115573  0.228300  0.700142  1
  Cu  Cu215  1  0.182797  0.862491  0.715667  1
  Cu  Cu216  1  0.615162  0.227450  0.700043  1
