# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.13874072
_cell_length_b   17.53029163
_cell_length_c   46.80306057
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.42999356
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu336
_cell_volume   8883.8919327
_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  0.998228  0.601023  0.301916  1
  Cu  Cu2  1  0.391024  0.605924  0.291817  1
  Cu  Cu3  1  0.784317  0.610631  0.282302  1
  Cu  Cu4  1  0.998228  0.101023  0.301916  1
  Cu  Cu5  1  0.391024  0.105924  0.291817  1
  Cu  Cu6  1  0.784317  0.110631  0.282302  1
  Cu  Cu7  1  0.215347  0.725456  0.302823  1
  Cu  Cu8  1  0.608999  0.730788  0.292484  1
  Cu  Cu9  1  0.002721  0.735592  0.283244  1
  Cu  Cu10  1  0.215347  0.225456  0.302823  1
  Cu  Cu11  1  0.608999  0.230788  0.292484  1
  Cu  Cu12  1  0.002721  0.235592  0.283244  1
  Cu  Cu13  1  0.086849  0.358223  0.286847  1
  Cu  Cu14  1  0.481209  0.363874  0.277221  1
  Cu  Cu15  1  0.694957  0.353352  0.296768  1
  Cu  Cu16  1  0.086849  0.858223  0.286847  1
  Cu  Cu17  1  0.481209  0.863874  0.277221  1
  Cu  Cu18  1  0.694957  0.853352  0.296768  1
  Cu  Cu19  1  0.173665  0.480733  0.290940  1
  Cu  Cu20  1  0.565429  0.486454  0.281070  1
  Cu  Cu21  1  0.780706  0.476075  0.300983  1
  Cu  Cu22  1  0.173665  0.980733  0.290940  1
  Cu  Cu23  1  0.565429  0.986454  0.281070  1
  Cu  Cu24  1  0.780706  0.976075  0.300983  1
  Cu  Cu25  1  0.819343  0.585030  0.333880  1
  Cu  Cu26  1  0.210628  0.591199  0.322253  1
  Cu  Cu27  1  0.604990  0.595658  0.312193  1
  Cu  Cu28  1  0.819343  0.085030  0.333880  1
  Cu  Cu29  1  0.210628  0.091199  0.322253  1
  Cu  Cu30  1  0.604990  0.095658  0.312193  1
  Cu  Cu31  1  0.036253  0.709912  0.334836  1
  Cu  Cu32  1  0.428772  0.715872  0.323156  1
  Cu  Cu33  1  0.822086  0.720132  0.313191  1
  Cu  Cu34  1  0.036253  0.209912  0.334836  1
  Cu  Cu35  1  0.428772  0.215872  0.323156  1
  Cu  Cu36  1  0.822086  0.220132  0.313191  1
  Cu  Cu37  1  0.907925  0.343344  0.317565  1
  Cu  Cu38  1  0.301175  0.348060  0.306909  1
  Cu  Cu39  1  0.516168  0.337903  0.328529  1
  Cu  Cu40  1  0.907925  0.843344  0.317565  1
  Cu  Cu41  1  0.301175  0.848060  0.306909  1
  Cu  Cu42  1  0.516168  0.837903  0.328529  1
  Cu  Cu43  1  0.993995  0.466926  0.321355  1
  Cu  Cu44  1  0.387059  0.471270  0.311443  1
  Cu  Cu45  1  0.602317  0.460221  0.332632  1
  Cu  Cu46  1  0.993995  0.966926  0.321355  1
  Cu  Cu47  1  0.387059  0.971270  0.311443  1
  Cu  Cu48  1  0.602317  0.960221  0.332632  1
  Cu  Cu49  1  0.641102  0.568801  0.365788  1
  Cu  Cu50  1  0.034216  0.574294  0.354854  1
  Cu  Cu51  1  0.426603  0.579925  0.343985  1
  Cu  Cu52  1  0.641102  0.068801  0.365788  1
  Cu  Cu53  1  0.034216  0.074294  0.354854  1
  Cu  Cu54  1  0.426603  0.079925  0.343985  1
  Cu  Cu55  1  0.857759  0.693430  0.366854  1
  Cu  Cu56  1  0.251031  0.698731  0.355706  1
  Cu  Cu57  1  0.643568  0.703864  0.345032  1
  Cu  Cu58  1  0.857759  0.193430  0.366854  1
  Cu  Cu59  1  0.251031  0.198731  0.355706  1
  Cu  Cu60  1  0.643568  0.203864  0.345032  1
  Cu  Cu61  1  0.730541  0.326788  0.349663  1
  Cu  Cu62  1  0.122442  0.332627  0.338659  1
  Cu  Cu63  1  0.336998  0.321720  0.360225  1
  Cu  Cu64  1  0.730541  0.826788  0.349663  1
  Cu  Cu65  1  0.122442  0.832627  0.338659  1
  Cu  Cu66  1  0.336998  0.821720  0.360225  1
  Cu  Cu67  1  0.817372  0.449653  0.353975  1
  Cu  Cu68  1  0.209246  0.455173  0.343126  1
  Cu  Cu69  1  0.424250  0.444546  0.364933  1
  Cu  Cu70  1  0.817372  0.949653  0.353975  1
  Cu  Cu71  1  0.209246  0.955173  0.343126  1
  Cu  Cu72  1  0.424250  0.944546  0.364933  1
  Cu  Cu73  1  0.462551  0.553221  0.397991  1
  Cu  Cu74  1  0.855590  0.558310  0.387402  1
  Cu  Cu75  1  0.248202  0.563856  0.376243  1
  Cu  Cu76  1  0.462551  0.053221  0.397991  1
  Cu  Cu77  1  0.855590  0.058310  0.387402  1
  Cu  Cu78  1  0.248202  0.063856  0.376243  1
  Cu  Cu79  1  0.678825  0.677487  0.399052  1
  Cu  Cu80  1  0.072033  0.682814  0.388391  1
  Cu  Cu81  1  0.464535  0.688325  0.377266  1
  Cu  Cu82  1  0.678825  0.177487  0.399052  1
  Cu  Cu83  1  0.072033  0.182814  0.388391  1
  Cu  Cu84  1  0.464535  0.188325  0.377266  1
  Cu  Cu85  1  0.551875  0.310919  0.381976  1
  Cu  Cu86  1  0.944430  0.316458  0.371263  1
  Cu  Cu87  1  0.158980  0.305731  0.392552  1
  Cu  Cu88  1  0.551875  0.810919  0.381976  1
  Cu  Cu89  1  0.944430  0.816458  0.371263  1
  Cu  Cu90  1  0.158980  0.805731  0.392552  1
  Cu  Cu91  1  0.639230  0.433710  0.386400  1
  Cu  Cu92  1  0.031659  0.439318  0.375367  1
  Cu  Cu93  1  0.246212  0.428662  0.397034  1
  Cu  Cu94  1  0.639230  0.933710  0.386400  1
  Cu  Cu95  1  0.031659  0.939318  0.375367  1
  Cu  Cu96  1  0.246212  0.928662  0.397034  1
  Cu  Cu97  1  0.284279  0.537187  0.430351  1
  Cu  Cu98  1  0.677029  0.542386  0.419722  1
  Cu  Cu99  1  0.069924  0.547775  0.408831  1
  Cu  Cu100  1  0.284279  0.037187  0.430351  1
  Cu  Cu101  1  0.677029  0.042386  0.419722  1
  Cu  Cu102  1  0.069924  0.047775  0.408831  1
  Cu  Cu103  1  0.500266  0.661669  0.431391  1
  Cu  Cu104  1  0.893290  0.666899  0.420775  1
  Cu  Cu105  1  0.286075  0.672308  0.409790  1
  Cu  Cu106  1  0.500266  0.161669  0.431391  1
  Cu  Cu107  1  0.893290  0.166899  0.420775  1
  Cu  Cu108  1  0.286075  0.172308  0.409790  1
  Cu  Cu109  1  0.373391  0.295145  0.414187  1
  Cu  Cu110  1  0.766322  0.300332  0.403595  1
  Cu  Cu111  1  0.980840  0.289717  0.425123  1
  Cu  Cu112  1  0.373391  0.795145  0.414187  1
  Cu  Cu113  1  0.766322  0.800332  0.403595  1
  Cu  Cu114  1  0.980840  0.789717  0.425123  1
  Cu  Cu115  1  0.460954  0.417940  0.418739  1
  Cu  Cu116  1  0.853747  0.423255  0.407921  1
  Cu  Cu117  1  0.068234  0.412608  0.429400  1
  Cu  Cu118  1  0.460954  0.917940  0.418739  1
  Cu  Cu119  1  0.853747  0.923255  0.407921  1
  Cu  Cu120  1  0.068234  0.912608  0.429400  1
  Cu  Cu121  1  0.106035  0.521113  0.462837  1
  Cu  Cu122  1  0.498682  0.526503  0.452015  1
  Cu  Cu123  1  0.891591  0.531746  0.441315  1
  Cu  Cu124  1  0.106035  0.021113  0.462837  1
  Cu  Cu125  1  0.498682  0.026503  0.452015  1
  Cu  Cu126  1  0.891591  0.031746  0.441315  1
  Cu  Cu127  1  0.321984  0.645638  0.463842  1
  Cu  Cu128  1  0.714748  0.650944  0.453054  1
  Cu  Cu129  1  0.107727  0.656236  0.442322  1
  Cu  Cu130  1  0.321984  0.145638  0.463842  1
  Cu  Cu131  1  0.714748  0.150944  0.453054  1
  Cu  Cu132  1  0.107727  0.156236  0.442322  1
  Cu  Cu133  1  0.195207  0.279115  0.446600  1
  Cu  Cu134  1  0.587927  0.284412  0.435873  1
  Cu  Cu135  1  0.802452  0.273742  0.457518  1
  Cu  Cu136  1  0.195207  0.779115  0.446600  1
  Cu  Cu137  1  0.587927  0.784412  0.435873  1
  Cu  Cu138  1  0.802452  0.773742  0.457518  1
  Cu  Cu139  1  0.282677  0.401992  0.451007  1
  Cu  Cu140  1  0.675523  0.407225  0.440329  1
  Cu  Cu141  1  0.890040  0.396590  0.461874  1
  Cu  Cu142  1  0.282677  0.901992  0.451007  1
  Cu  Cu143  1  0.675523  0.907225  0.440329  1
  Cu  Cu144  1  0.890040  0.896590  0.461874  1
  Cu  Cu145  1  0.927748  0.505090  0.495280  1
  Cu  Cu146  1  0.320400  0.510500  0.484393  1
  Cu  Cu147  1  0.713215  0.515766  0.473666  1
  Cu  Cu148  1  0.927748  0.005090  0.495280  1
  Cu  Cu149  1  0.320400  0.010500  0.484393  1
  Cu  Cu150  1  0.713215  0.015766  0.473666  1
  Cu  Cu151  1  0.143721  0.629604  0.496299  1
  Cu  Cu152  1  0.536353  0.634985  0.485412  1
  Cu  Cu153  1  0.929308  0.640253  0.474698  1
  Cu  Cu154  1  0.143721  0.129604  0.496299  1
  Cu  Cu155  1  0.536353  0.134985  0.485412  1
  Cu  Cu156  1  0.929308  0.140253  0.474698  1
  Cu  Cu157  1  0.016940  0.263087  0.479081  1
  Cu  Cu158  1  0.409544  0.268486  0.468201  1
  Cu  Cu159  1  0.624034  0.257783  0.489829  1
  Cu  Cu160  1  0.016940  0.763087  0.479081  1
  Cu  Cu161  1  0.409544  0.768486  0.468201  1
  Cu  Cu162  1  0.624034  0.757783  0.489829  1
  Cu  Cu163  1  0.104466  0.385958  0.483402  1
  Cu  Cu164  1  0.497183  0.391287  0.472647  1
  Cu  Cu165  1  0.711718  0.380584  0.494269  1
  Cu  Cu166  1  0.104466  0.885958  0.483402  1
  Cu  Cu167  1  0.497183  0.891287  0.472647  1
  Cu  Cu168  1  0.711718  0.880584  0.494269  1
  Cu  Cu169  1  0.749366  0.489098  0.527616  1
  Cu  Cu170  1  0.142169  0.494460  0.516853  1
  Cu  Cu171  1  0.534820  0.499810  0.505991  1
  Cu  Cu172  1  0.749366  0.989098  0.527616  1
  Cu  Cu173  1  0.142169  0.994460  0.516853  1
  Cu  Cu174  1  0.534820  0.999810  0.505991  1
  Cu  Cu175  1  0.965425  0.613623  0.528648  1
  Cu  Cu176  1  0.358054  0.618979  0.517862  1
  Cu  Cu177  1  0.750894  0.624289  0.507005  1
  Cu  Cu178  1  0.965425  0.113623  0.528648  1
  Cu  Cu179  1  0.358054  0.118979  0.517862  1
  Cu  Cu180  1  0.750894  0.124289  0.507005  1
  Cu  Cu181  1  0.838596  0.247087  0.511465  1
  Cu  Cu182  1  0.231273  0.252468  0.500635  1
  Cu  Cu183  1  0.445637  0.241821  0.522195  1
  Cu  Cu184  1  0.838596  0.747087  0.511465  1
  Cu  Cu185  1  0.231273  0.752468  0.500635  1
  Cu  Cu186  1  0.445637  0.741821  0.522195  1
  Cu  Cu187  1  0.926213  0.369934  0.515858  1
  Cu  Cu188  1  0.318846  0.375331  0.504978  1
  Cu  Cu189  1  0.533316  0.364614  0.526584  1
  Cu  Cu190  1  0.926213  0.869934  0.515858  1
  Cu  Cu191  1  0.318846  0.875331  0.504978  1
  Cu  Cu192  1  0.533316  0.864614  0.526584  1
  Cu  Cu193  1  0.570908  0.473115  0.559935  1
  Cu  Cu194  1  0.963943  0.478445  0.549275  1
  Cu  Cu195  1  0.356504  0.483829  0.538401  1
  Cu  Cu196  1  0.570908  0.973115  0.559935  1
  Cu  Cu197  1  0.963943  0.978445  0.549275  1
  Cu  Cu198  1  0.356504  0.983829  0.538401  1
  Cu  Cu199  1  0.787103  0.597642  0.560917  1
  Cu  Cu200  1  0.179822  0.602977  0.550299  1
  Cu  Cu201  1  0.572510  0.608300  0.539373  1
  Cu  Cu202  1  0.787103  0.097642  0.560917  1
  Cu  Cu203  1  0.179822  0.102977  0.550299  1
  Cu  Cu204  1  0.572510  0.108300  0.539373  1
  Cu  Cu205  1  0.660206  0.231103  0.543776  1
  Cu  Cu206  1  0.053018  0.236447  0.533094  1
  Cu  Cu207  1  0.267311  0.225832  0.554671  1
  Cu  Cu208  1  0.660206  0.731103  0.543776  1
  Cu  Cu209  1  0.053018  0.736447  0.533094  1
  Cu  Cu210  1  0.267311  0.725832  0.554671  1
  Cu  Cu211  1  0.747879  0.353886  0.548234  1
  Cu  Cu212  1  0.140580  0.359325  0.537406  1
  Cu  Cu213  1  0.354892  0.348684  0.558938  1
  Cu  Cu214  1  0.747879  0.853886  0.548234  1
  Cu  Cu215  1  0.140580  0.859325  0.537406  1
  Cu  Cu216  1  0.354892  0.848684  0.558938  1
  Cu  Cu217  1  0.392551  0.457150  0.592403  1
  Cu  Cu218  1  0.785555  0.462414  0.581534  1
  Cu  Cu219  1  0.178319  0.467811  0.570889  1
  Cu  Cu220  1  0.392551  0.957150  0.592403  1
  Cu  Cu221  1  0.785555  0.962414  0.581534  1
  Cu  Cu222  1  0.178319  0.967811  0.570889  1
  Cu  Cu223  1  0.608812  0.581598  0.593271  1
  Cu  Cu224  1  1.001644  0.587047  0.582608  1
  Cu  Cu225  1  0.394232  0.592318  0.571858  1
  Cu  Cu226  1  0.608812  0.081598  0.593271  1
  Cu  Cu227  1  1.001644  0.087047  0.582608  1
  Cu  Cu228  1  0.394232  0.092318  0.571858  1
  Cu  Cu229  1  0.481753  0.215162  0.576141  1
  Cu  Cu230  1  0.874761  0.220433  0.565462  1
  Cu  Cu231  1  0.089109  0.209814  0.587158  1
  Cu  Cu232  1  0.481753  0.715162  0.576141  1
  Cu  Cu233  1  0.874761  0.720433  0.565462  1
  Cu  Cu234  1  0.089109  0.709814  0.587158  1
  Cu  Cu235  1  0.569381  0.337894  0.580510  1
  Cu  Cu236  1  0.962330  0.343298  0.569876  1
  Cu  Cu237  1  0.176539  0.332729  0.591429  1
  Cu  Cu238  1  0.569381  0.837894  0.580510  1
  Cu  Cu239  1  0.962330  0.843298  0.569876  1
  Cu  Cu240  1  0.176539  0.832729  0.591429  1
  Cu  Cu241  1  0.214321  0.441209  0.624995  1
  Cu  Cu242  1  0.606862  0.446498  0.613814  1
  Cu  Cu243  1  1.000127  0.451872  0.603318  1
  Cu  Cu244  1  0.214321  0.941209  0.624995  1
  Cu  Cu245  1  0.606862  0.946498  0.613814  1
  Cu  Cu246  1  1.000127  0.951872  0.603318  1
  Cu  Cu247  1  0.430859  0.565581  0.625833  1
  Cu  Cu248  1  0.823397  0.571130  0.614760  1
  Cu  Cu249  1  0.216149  0.576372  0.604311  1
  Cu  Cu250  1  0.430859  0.065581  0.625833  1
  Cu  Cu251  1  0.823397  0.071130  0.614760  1
  Cu  Cu252  1  0.216149  0.076372  0.604311  1
  Cu  Cu253  1  0.303424  0.199228  0.608710  1
  Cu  Cu254  1  0.696501  0.204442  0.597726  1
  Cu  Cu255  1  0.911045  0.193794  0.619557  1
  Cu  Cu256  1  0.303424  0.699228  0.608710  1
  Cu  Cu257  1  0.696501  0.704442  0.597726  1
  Cu  Cu258  1  0.911045  0.693794  0.619557  1
  Cu  Cu259  1  0.390592  0.322092  0.612861  1
  Cu  Cu260  1  0.783891  0.327190  0.602250  1
  Cu  Cu261  1  0.998179  0.316730  0.623926  1
  Cu  Cu262  1  0.390592  0.822092  0.612861  1
  Cu  Cu263  1  0.783891  0.827190  0.602250  1
  Cu  Cu264  1  0.998179  0.816730  0.623926  1
  Cu  Cu265  1  0.036153  0.425421  0.657306  1
  Cu  Cu266  1  0.428256  0.430610  0.646393  1
  Cu  Cu267  1  0.821530  0.435780  0.635381  1
  Cu  Cu268  1  0.036153  0.925421  0.657306  1
  Cu  Cu269  1  0.428256  0.930610  0.646393  1
  Cu  Cu270  1  0.821530  0.935780  0.635381  1
  Cu  Cu271  1  0.253060  0.549830  0.658171  1
  Cu  Cu272  1  0.645270  0.555220  0.647145  1
  Cu  Cu273  1  0.038216  0.560755  0.636546  1
  Cu  Cu274  1  0.253060  0.049830  0.658171  1
  Cu  Cu275  1  0.645270  0.055220  0.647145  1
  Cu  Cu276  1  0.038216  0.060755  0.636546  1
  Cu  Cu277  1  0.125059  0.183263  0.641229  1
  Cu  Cu278  1  0.518242  0.188390  0.629968  1
  Cu  Cu279  1  0.732822  0.177919  0.651689  1
  Cu  Cu280  1  0.125059  0.683263  0.641229  1
  Cu  Cu281  1  0.518242  0.688390  0.629968  1
  Cu  Cu282  1  0.732822  0.677919  0.651689  1
  Cu  Cu283  1  0.211567  0.306275  0.645484  1
  Cu  Cu284  1  0.604999  0.311274  0.634443  1
  Cu  Cu285  1  0.819592  0.300417  0.656235  1
  Cu  Cu286  1  0.211567  0.806275  0.645484  1
  Cu  Cu287  1  0.604999  0.811274  0.634443  1
  Cu  Cu288  1  0.819592  0.800417  0.656235  1
  Cu  Cu289  1  0.857705  0.409031  0.688879  1
  Cu  Cu290  1  0.251791  0.413787  0.678961  1
  Cu  Cu291  1  0.643564  0.419576  0.667292  1
  Cu  Cu292  1  0.857705  0.909031  0.688879  1
  Cu  Cu293  1  0.251791  0.913787  0.678961  1
  Cu  Cu294  1  0.643564  0.919576  0.667292  1
  Cu  Cu295  1  0.075364  0.534196  0.689858  1
  Cu  Cu296  1  0.468928  0.537945  0.679743  1
  Cu  Cu297  1  0.860077  0.544287  0.668205  1
  Cu  Cu298  1  0.075364  0.034196  0.689858  1
  Cu  Cu299  1  0.468928  0.037945  0.679743  1
  Cu  Cu300  1  0.860077  0.044287  0.668205  1
  Cu  Cu301  1  0.947235  0.166425  0.673685  1
  Cu  Cu302  1  0.339969  0.172266  0.662537  1
  Cu  Cu303  1  0.554714  0.161533  0.683605  1
  Cu  Cu304  1  0.947235  0.666425  0.673685  1
  Cu  Cu305  1  0.339969  0.672266  0.662537  1
  Cu  Cu306  1  0.554714  0.661533  0.683605  1
  Cu  Cu307  1  0.034047  0.289707  0.677779  1
  Cu  Cu308  1  0.426260  0.294917  0.666396  1
  Cu  Cu309  1  0.640489  0.284594  0.688083  1
  Cu  Cu310  1  0.034047  0.789707  0.677779  1
  Cu  Cu311  1  0.426260  0.794917  0.666396  1
  Cu  Cu312  1  0.640489  0.784594  0.688083  1
  Cu  Cu313  1  0.678521  0.394616  0.718889  1
  Cu  Cu314  1  0.071814  0.399531  0.709332  1
  Cu  Cu315  1  0.464814  0.403626  0.699252  1
  Cu  Cu316  1  0.678521  0.894616  0.718889  1
  Cu  Cu317  1  0.071814  0.899531  0.709332  1
  Cu  Cu318  1  0.464814  0.903626  0.699252  1
  Cu  Cu319  1  0.896801  0.517611  0.719451  1
  Cu  Cu320  1  0.290581  0.523575  0.709999  1
  Cu  Cu321  1  0.681939  0.528778  0.700052  1
  Cu  Cu322  1  0.896801  0.017611  0.719451  1
  Cu  Cu323  1  0.290581  0.023575  0.709999  1
  Cu  Cu324  1  0.681939  0.028778  0.700052  1
  Cu  Cu325  1  0.768082  0.151182  0.704326  1
  Cu  Cu326  1  0.161407  0.156655  0.694212  1
  Cu  Cu327  1  0.375542  0.146615  0.714232  1
  Cu  Cu328  1  0.768082  0.651182  0.704326  1
  Cu  Cu329  1  0.161407  0.656655  0.694212  1
  Cu  Cu330  1  0.375542  0.646615  0.714232  1
  Cu  Cu331  1  0.852815  0.274622  0.708458  1
  Cu  Cu332  1  0.246842  0.279386  0.698324  1
  Cu  Cu333  1  0.459465  0.269153  0.717954  1
  Cu  Cu334  1  0.852815  0.774622  0.708458  1
  Cu  Cu335  1  0.246842  0.779386  0.698324  1
  Cu  Cu336  1  0.459465  0.769153  0.717954  1
