# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.41894476
_cell_length_b   13.41307805
_cell_length_c   46.80500355
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.10593870
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu324
_cell_volume   8402.77996991
_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  0.258563  0.805025  0.319612  1
  Cu  Cu2  1  0.239136  0.517842  0.287114  1
  Cu  Cu3  1  0.416715  0.494393  0.302189  1
  Cu  Cu4  1  0.591896  0.471692  0.319612  1
  Cu  Cu5  1  0.250048  0.161060  0.302189  1
  Cu  Cu6  1  0.425229  0.138359  0.319612  1
  Cu  Cu7  1  0.405803  0.851175  0.287114  1
  Cu  Cu8  1  0.583381  0.827727  0.302189  1
  Cu  Cu9  1  0.758563  0.805025  0.319612  1
  Cu  Cu10  1  0.739136  0.517842  0.287114  1
  Cu  Cu11  1  0.916715  0.494393  0.302189  1
  Cu  Cu12  1  0.091896  0.471692  0.319612  1
  Cu  Cu13  1  0.572470  0.184509  0.287114  1
  Cu  Cu14  1  0.750048  0.161060  0.302189  1
  Cu  Cu15  1  0.925229  0.138359  0.319612  1
  Cu  Cu16  1  0.905803  0.851175  0.287114  1
  Cu  Cu17  1  0.083381  0.827727  0.302189  1
  Cu  Cu18  1  0.072470  0.184509  0.287114  1
  Cu  Cu19  1  0.288212  0.699934  0.277638  1
  Cu  Cu20  1  0.296712  0.342120  0.292497  1
  Cu  Cu21  1  0.472231  0.318636  0.308361  1
  Cu  Cu22  1  0.621545  0.366601  0.277638  1
  Cu  Cu23  1  0.305565  0.985302  0.308361  1
  Cu  Cu24  1  0.454879  0.033268  0.277638  1
  Cu  Cu25  1  0.463379  0.675453  0.292497  1
  Cu  Cu26  1  0.638898  0.651969  0.308361  1
  Cu  Cu27  1  0.788212  0.699934  0.277638  1
  Cu  Cu28  1  0.796712  0.342120  0.292497  1
  Cu  Cu29  1  0.972231  0.318636  0.308361  1
  Cu  Cu30  1  0.121545  0.366601  0.277638  1
  Cu  Cu31  1  0.630046  0.008787  0.292497  1
  Cu  Cu32  1  0.805565  0.985302  0.308361  1
  Cu  Cu33  1  0.954879  0.033268  0.277638  1
  Cu  Cu34  1  0.963379  0.675453  0.292497  1
  Cu  Cu35  1  0.138898  0.651969  0.308361  1
  Cu  Cu36  1  0.130046  0.008787  0.292497  1
  Cu  Cu37  1  0.289241  0.735163  0.369354  1
  Cu  Cu38  1  0.269344  0.447772  0.335878  1
  Cu  Cu39  1  0.445398  0.424542  0.352351  1
  Cu  Cu40  1  0.622574  0.401830  0.369354  1
  Cu  Cu41  1  0.278732  0.091209  0.352351  1
  Cu  Cu42  1  0.455907  0.068496  0.369354  1
  Cu  Cu43  1  0.436011  0.781106  0.335878  1
  Cu  Cu44  1  0.612065  0.757876  0.352351  1
  Cu  Cu45  1  0.789241  0.735163  0.369354  1
  Cu  Cu46  1  0.769344  0.447772  0.335878  1
  Cu  Cu47  1  0.945398  0.424542  0.352351  1
  Cu  Cu48  1  0.122574  0.401830  0.369354  1
  Cu  Cu49  1  0.602677  0.114439  0.335878  1
  Cu  Cu50  1  0.778732  0.091209  0.352351  1
  Cu  Cu51  1  0.955907  0.068496  0.369354  1
  Cu  Cu52  1  0.936011  0.781106  0.335878  1
  Cu  Cu53  1  0.112065  0.757876  0.352351  1
  Cu  Cu54  1  0.102677  0.114439  0.335878  1
  Cu  Cu55  1  0.317230  0.629376  0.325681  1
  Cu  Cu56  1  0.326529  0.272955  0.341929  1
  Cu  Cu57  1  0.503804  0.250275  0.358325  1
  Cu  Cu58  1  0.650563  0.296043  0.325681  1
  Cu  Cu59  1  0.337138  0.916942  0.358325  1
  Cu  Cu60  1  0.483896  0.962709  0.325681  1
  Cu  Cu61  1  0.493196  0.606289  0.341929  1
  Cu  Cu62  1  0.670471  0.583609  0.358325  1
  Cu  Cu63  1  0.817230  0.629376  0.325681  1
  Cu  Cu64  1  0.826529  0.272955  0.341929  1
  Cu  Cu65  1  1.003804  0.250275  0.358325  1
  Cu  Cu66  1  0.150563  0.296043  0.325681  1
  Cu  Cu67  1  0.659862  0.939622  0.341929  1
  Cu  Cu68  1  0.837138  0.916942  0.358325  1
  Cu  Cu69  1  0.983896  0.962709  0.325681  1
  Cu  Cu70  1  0.993196  0.606289  0.341929  1
  Cu  Cu71  1  0.170471  0.583609  0.358325  1
  Cu  Cu72  1  0.159862  0.939622  0.341929  1
  Cu  Cu73  1  0.319834  0.665452  0.419496  1
  Cu  Cu74  1  0.299364  0.378298  0.386050  1
  Cu  Cu75  1  0.476215  0.355223  0.402680  1
  Cu  Cu76  1  0.653167  0.332118  0.419496  1
  Cu  Cu77  1  0.309548  0.021889  0.402680  1
  Cu  Cu78  1  0.486500  0.998785  0.419496  1
  Cu  Cu79  1  0.466031  0.711632  0.386050  1
  Cu  Cu80  1  0.642881  0.688556  0.402680  1
  Cu  Cu81  1  0.819834  0.665452  0.419496  1
  Cu  Cu82  1  0.799364  0.378298  0.386050  1
  Cu  Cu83  1  0.976215  0.355223  0.402680  1
  Cu  Cu84  1  0.153167  0.332118  0.419496  1
  Cu  Cu85  1  0.632698  0.044965  0.386050  1
  Cu  Cu86  1  0.809548  0.021889  0.402680  1
  Cu  Cu87  1  0.986500  0.998785  0.419496  1
  Cu  Cu88  1  0.966031  0.711632  0.386050  1
  Cu  Cu89  1  0.142881  0.688556  0.402680  1
  Cu  Cu90  1  0.132698  0.044965  0.386050  1
  Cu  Cu91  1  0.347125  0.559859  0.375260  1
  Cu  Cu92  1  0.357361  0.203523  0.391783  1
  Cu  Cu93  1  0.534188  0.180640  0.408539  1
  Cu  Cu94  1  0.680458  0.226526  0.375260  1
  Cu  Cu95  1  0.367521  0.847307  0.408539  1
  Cu  Cu96  1  0.513792  0.893192  0.375260  1
  Cu  Cu97  1  0.524028  0.536856  0.391783  1
  Cu  Cu98  1  0.700855  0.513974  0.408539  1
  Cu  Cu99  1  0.847125  0.559859  0.375260  1
  Cu  Cu100  1  0.857361  0.203523  0.391783  1
  Cu  Cu101  1  0.034188  0.180640  0.408539  1
  Cu  Cu102  1  0.180458  0.226526  0.375260  1
  Cu  Cu103  1  0.690695  0.870189  0.391783  1
  Cu  Cu104  1  0.867521  0.847307  0.408539  1
  Cu  Cu105  1  0.013792  0.893192  0.375260  1
  Cu  Cu106  1  0.024028  0.536856  0.391783  1
  Cu  Cu107  1  0.200855  0.513974  0.408539  1
  Cu  Cu108  1  0.190695  0.870189  0.391783  1
  Cu  Cu109  1  0.350625  0.596008  0.469631  1
  Cu  Cu110  1  0.330127  0.308874  0.436179  1
  Cu  Cu111  1  0.507005  0.285809  0.452901  1
  Cu  Cu112  1  0.683959  0.262675  0.469631  1
  Cu  Cu113  1  0.340338  0.952476  0.452901  1
  Cu  Cu114  1  0.517292  0.929341  0.469631  1
  Cu  Cu115  1  0.496794  0.642208  0.436179  1
  Cu  Cu116  1  0.673671  0.619142  0.452901  1
  Cu  Cu117  1  0.850625  0.596008  0.469631  1
  Cu  Cu118  1  0.830127  0.308874  0.436179  1
  Cu  Cu119  1  0.007005  0.285809  0.452901  1
  Cu  Cu120  1  0.183959  0.262675  0.469631  1
  Cu  Cu121  1  0.663461  0.975541  0.436179  1
  Cu  Cu122  1  0.840338  0.952476  0.452901  1
  Cu  Cu123  1  0.017292  0.929341  0.469631  1
  Cu  Cu124  1  0.996794  0.642208  0.436179  1
  Cu  Cu125  1  0.173671  0.619142  0.452901  1
  Cu  Cu126  1  0.163461  0.975541  0.436179  1
  Cu  Cu127  1  0.377806  0.490695  0.425279  1
  Cu  Cu128  1  0.388013  0.134258  0.441941  1
  Cu  Cu129  1  0.564950  0.111173  0.458668  1
  Cu  Cu130  1  0.711140  0.157362  0.425279  1
  Cu  Cu131  1  0.398283  0.777840  0.458668  1
  Cu  Cu132  1  0.544473  0.824028  0.425279  1
  Cu  Cu133  1  0.554680  0.467591  0.441941  1
  Cu  Cu134  1  0.731617  0.444506  0.458668  1
  Cu  Cu135  1  0.877806  0.490695  0.425279  1
  Cu  Cu136  1  0.888013  0.134258  0.441941  1
  Cu  Cu137  1  0.064950  0.111173  0.458668  1
  Cu  Cu138  1  0.211140  0.157362  0.425279  1
  Cu  Cu139  1  0.721346  0.800924  0.441941  1
  Cu  Cu140  1  0.898283  0.777840  0.458668  1
  Cu  Cu141  1  0.044473  0.824028  0.425279  1
  Cu  Cu142  1  0.054680  0.467591  0.441941  1
  Cu  Cu143  1  0.231617  0.444506  0.458668  1
  Cu  Cu144  1  0.221346  0.800924  0.441941  1
  Cu  Cu145  1  0.381415  0.526620  0.519762  1
  Cu  Cu146  1  0.360883  0.239509  0.486334  1
  Cu  Cu147  1  0.537811  0.216399  0.503057  1
  Cu  Cu148  1  0.714748  0.193287  0.519762  1
  Cu  Cu149  1  0.371145  0.883066  0.503057  1
  Cu  Cu150  1  0.548082  0.859953  0.519762  1
  Cu  Cu151  1  0.527550  0.572842  0.486334  1
  Cu  Cu152  1  0.704478  0.549733  0.503057  1
  Cu  Cu153  1  0.881415  0.526620  0.519762  1
  Cu  Cu154  1  0.860883  0.239509  0.486334  1
  Cu  Cu155  1  0.037811  0.216399  0.503057  1
  Cu  Cu156  1  0.214748  0.193287  0.519762  1
  Cu  Cu157  1  0.694216  0.906175  0.486334  1
  Cu  Cu158  1  0.871145  0.883066  0.503057  1
  Cu  Cu159  1  0.048082  0.859953  0.519762  1
  Cu  Cu160  1  0.027550  0.572842  0.486334  1
  Cu  Cu161  1  0.204478  0.549733  0.503057  1
  Cu  Cu162  1  0.194216  0.906175  0.486334  1
  Cu  Cu163  1  0.408532  0.421341  0.475384  1
  Cu  Cu164  1  0.418803  0.064895  0.492089  1
  Cu  Cu165  1  0.595731  0.041786  0.508811  1
  Cu  Cu166  1  0.741866  0.088008  0.475384  1
  Cu  Cu167  1  0.429064  0.708453  0.508811  1
  Cu  Cu168  1  0.575199  0.754675  0.475384  1
  Cu  Cu169  1  0.585469  0.398229  0.492089  1
  Cu  Cu170  1  0.762398  0.375119  0.508811  1
  Cu  Cu171  1  0.908532  0.421341  0.475384  1
  Cu  Cu172  1  0.918803  0.064895  0.492089  1
  Cu  Cu173  1  0.095731  0.041786  0.508811  1
  Cu  Cu174  1  0.241866  0.088008  0.475384  1
  Cu  Cu175  1  0.752136  0.731562  0.492089  1
  Cu  Cu176  1  0.929064  0.708453  0.508811  1
  Cu  Cu177  1  0.075199  0.754675  0.475384  1
  Cu  Cu178  1  0.085469  0.398229  0.492089  1
  Cu  Cu179  1  0.262398  0.375119  0.508811  1
  Cu  Cu180  1  0.252136  0.731562  0.492089  1
  Cu  Cu181  1  0.412141  0.457267  0.569866  1
  Cu  Cu182  1  0.391664  0.170122  0.536477  1
  Cu  Cu183  1  0.568601  0.147037  0.553205  1
  Cu  Cu184  1  0.745474  0.123933  0.569866  1
  Cu  Cu185  1  0.401935  0.813704  0.553205  1
  Cu  Cu186  1  0.578808  0.790600  0.569866  1
  Cu  Cu187  1  0.558331  0.503455  0.536477  1
  Cu  Cu188  1  0.735268  0.480370  0.553205  1
  Cu  Cu189  1  0.912141  0.457267  0.569866  1
  Cu  Cu190  1  0.891664  0.170122  0.536477  1
  Cu  Cu191  1  0.068601  0.147037  0.553205  1
  Cu  Cu192  1  0.245474  0.123933  0.569866  1
  Cu  Cu193  1  0.724998  0.836788  0.536477  1
  Cu  Cu194  1  0.901935  0.813704  0.553205  1
  Cu  Cu195  1  0.078808  0.790600  0.569866  1
  Cu  Cu196  1  0.058331  0.503455  0.536477  1
  Cu  Cu197  1  0.235268  0.480370  0.553205  1
  Cu  Cu198  1  0.224998  0.836788  0.536477  1
  Cu  Cu199  1  0.439322  0.351953  0.525515  1
  Cu  Cu200  1  0.449609  0.995486  0.542244  1
  Cu  Cu201  1  0.626487  0.972421  0.558966  1
  Cu  Cu202  1  0.772655  0.018620  0.525515  1
  Cu  Cu203  1  0.459820  0.639087  0.558966  1
  Cu  Cu204  1  0.605989  0.685287  0.525515  1
  Cu  Cu205  1  0.616276  0.328819  0.542244  1
  Cu  Cu206  1  0.793153  0.305754  0.558966  1
  Cu  Cu207  1  0.939322  0.351953  0.525515  1
  Cu  Cu208  1  0.949609  0.995486  0.542244  1
  Cu  Cu209  1  0.126487  0.972421  0.558966  1
  Cu  Cu210  1  0.272655  0.018620  0.525515  1
  Cu  Cu211  1  0.782943  0.662152  0.542244  1
  Cu  Cu212  1  0.959820  0.639087  0.558966  1
  Cu  Cu213  1  0.105989  0.685287  0.525515  1
  Cu  Cu214  1  0.116276  0.328819  0.542244  1
  Cu  Cu215  1  0.293153  0.305754  0.558966  1
  Cu  Cu216  1  0.282943  0.662152  0.542244  1
  Cu  Cu217  1  0.442823  0.388102  0.619886  1
  Cu  Cu218  1  0.422426  0.100655  0.586607  1
  Cu  Cu219  1  0.599253  0.077772  0.603362  1
  Cu  Cu220  1  0.776156  0.054769  0.619886  1
  Cu  Cu221  1  0.432586  0.744439  0.603362  1
  Cu  Cu222  1  0.609489  0.721436  0.619886  1
  Cu  Cu223  1  0.589093  0.433988  0.586607  1
  Cu  Cu224  1  0.765920  0.411106  0.603362  1
  Cu  Cu225  1  0.942823  0.388102  0.619886  1
  Cu  Cu226  1  0.922426  0.100655  0.586607  1
  Cu  Cu227  1  0.099253  0.077772  0.603362  1
  Cu  Cu228  1  0.276156  0.054769  0.619886  1
  Cu  Cu229  1  0.755759  0.767321  0.586607  1
  Cu  Cu230  1  0.932586  0.744439  0.603362  1
  Cu  Cu231  1  0.109489  0.721436  0.619886  1
  Cu  Cu232  1  0.089093  0.433988  0.586607  1
  Cu  Cu233  1  0.265920  0.411106  0.603362  1
  Cu  Cu234  1  0.255759  0.767321  0.586607  1
  Cu  Cu235  1  0.470114  0.282510  0.575649  1
  Cu  Cu236  1  0.480399  0.926072  0.592465  1
  Cu  Cu237  1  0.657250  0.902997  0.609095  1
  Cu  Cu238  1  0.803447  0.949176  0.575649  1
  Cu  Cu239  1  0.490583  0.569663  0.609095  1
  Cu  Cu240  1  0.636780  0.615843  0.575649  1
  Cu  Cu241  1  0.647066  0.259405  0.592465  1
  Cu  Cu242  1  0.823916  0.236330  0.609095  1
  Cu  Cu243  1  0.970114  0.282510  0.575649  1
  Cu  Cu244  1  0.980399  0.926072  0.592465  1
  Cu  Cu245  1  0.157250  0.902997  0.609095  1
  Cu  Cu246  1  0.303447  0.949176  0.575649  1
  Cu  Cu247  1  0.813733  0.592739  0.592465  1
  Cu  Cu248  1  0.990583  0.569663  0.609095  1
  Cu  Cu249  1  0.136780  0.615843  0.575649  1
  Cu  Cu250  1  0.147066  0.259405  0.592465  1
  Cu  Cu251  1  0.323916  0.236330  0.609095  1
  Cu  Cu252  1  0.313733  0.592739  0.592465  1
  Cu  Cu253  1  0.472718  0.318585  0.669465  1
  Cu  Cu254  1  0.452810  0.031020  0.636820  1
  Cu  Cu255  1  0.630085  0.008340  0.653217  1
  Cu  Cu256  1  0.806051  0.985252  0.669465  1
  Cu  Cu257  1  0.463418  0.675006  0.653217  1
  Cu  Cu258  1  0.639385  0.651919  0.669465  1
  Cu  Cu259  1  0.619477  0.364353  0.636820  1
  Cu  Cu260  1  0.796752  0.341673  0.653217  1
  Cu  Cu261  1  0.972718  0.318585  0.669465  1
  Cu  Cu262  1  0.952810  0.031020  0.636820  1
  Cu  Cu263  1  0.130085  0.008340  0.653217  1
  Cu  Cu264  1  0.306051  0.985252  0.669465  1
  Cu  Cu265  1  0.786143  0.697686  0.636820  1
  Cu  Cu266  1  0.963418  0.675006  0.653217  1
  Cu  Cu267  1  0.139385  0.651919  0.669465  1
  Cu  Cu268  1  0.119477  0.364353  0.636820  1
  Cu  Cu269  1  0.296752  0.341673  0.653217  1
  Cu  Cu270  1  0.286143  0.697686  0.636820  1
  Cu  Cu271  1  0.500707  0.212798  0.625791  1
  Cu  Cu272  1  0.511216  0.856753  0.642795  1
  Cu  Cu273  1  0.687270  0.833523  0.659268  1
  Cu  Cu274  1  0.834040  0.879465  0.625791  1
  Cu  Cu275  1  0.520604  0.500189  0.659268  1
  Cu  Cu276  1  0.667374  0.546132  0.625791  1
  Cu  Cu277  1  0.677883  0.190086  0.642795  1
  Cu  Cu278  1  0.853937  0.166856  0.659268  1
  Cu  Cu279  1  1.000707  0.212798  0.625791  1
  Cu  Cu280  1  0.011216  0.856753  0.642795  1
  Cu  Cu281  1  0.187270  0.833523  0.659268  1
  Cu  Cu282  1  0.334040  0.879465  0.625791  1
  Cu  Cu283  1  0.844549  0.523419  0.642795  1
  Cu  Cu284  1  0.020604  0.500189  0.659268  1
  Cu  Cu285  1  0.167374  0.546132  0.625791  1
  Cu  Cu286  1  0.177883  0.190086  0.642795  1
  Cu  Cu287  1  0.353937  0.166856  0.659268  1
  Cu  Cu288  1  0.344549  0.523419  0.642795  1
  Cu  Cu289  1  0.501736  0.248027  0.717507  1
  Cu  Cu290  1  0.484383  0.962659  0.686784  1
  Cu  Cu291  1  0.659902  0.939175  0.702649  1
  Cu  Cu292  1  0.835069  0.914694  0.717507  1
  Cu  Cu293  1  0.493235  0.605841  0.702649  1
  Cu  Cu294  1  0.668402  0.581360  0.717507  1
  Cu  Cu295  1  0.651049  0.295992  0.686784  1
  Cu  Cu296  1  0.826568  0.272508  0.702649  1
  Cu  Cu297  1  1.001736  0.248027  0.717507  1
  Cu  Cu298  1  0.984383  0.962659  0.686784  1
  Cu  Cu299  1  0.159902  0.939175  0.702649  1
  Cu  Cu300  1  0.335069  0.914694  0.717507  1
  Cu  Cu301  1  0.817716  0.629326  0.686784  1
  Cu  Cu302  1  0.993235  0.605841  0.702649  1
  Cu  Cu303  1  0.168402  0.581360  0.717507  1
  Cu  Cu304  1  0.151049  0.295992  0.686784  1
  Cu  Cu305  1  0.326568  0.272508  0.702649  1
  Cu  Cu306  1  0.317716  0.629326  0.686784  1
  Cu  Cu307  1  0.531385  0.142936  0.675533  1
  Cu  Cu308  1  0.539900  0.786901  0.692956  1
  Cu  Cu309  1  0.717478  0.763453  0.708032  1
  Cu  Cu310  1  0.864718  0.809603  0.675533  1
  Cu  Cu311  1  0.550811  0.430120  0.708032  1
  Cu  Cu312  1  0.698052  0.476269  0.675533  1
  Cu  Cu313  1  0.706566  0.120235  0.692956  1
  Cu  Cu314  1  0.884144  0.096786  0.708032  1
  Cu  Cu315  1  0.031385  0.142936  0.675533  1
  Cu  Cu316  1  0.039900  0.786901  0.692956  1
  Cu  Cu317  1  0.217478  0.763453  0.708032  1
  Cu  Cu318  1  0.364718  0.809603  0.675533  1
  Cu  Cu319  1  0.873233  0.453568  0.692956  1
  Cu  Cu320  1  0.050811  0.430120  0.708032  1
  Cu  Cu321  1  0.198052  0.476269  0.675533  1
  Cu  Cu322  1  0.206566  0.120235  0.692956  1
  Cu  Cu323  1  0.384144  0.096786  0.708032  1
  Cu  Cu324  1  0.373233  0.453568  0.692956  1
