# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.81998797
_cell_length_b   12.50276796
_cell_length_c   46.98421571
_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   5306.32413449
_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  0.644365  0.240644  0.312602  1
  Cu  Cu2  1  0.144365  0.240644  0.312602  1
  Cu  Cu3  1  0.076942  0.605795  0.297577  1
  Cu  Cu4  1  0.212836  0.877686  0.328819  1
  Cu  Cu5  1  0.576942  0.605795  0.297577  1
  Cu  Cu6  1  0.712836  0.877686  0.328819  1
  Cu  Cu7  1  0.177512  0.057000  0.319637  1
  Cu  Cu8  1  0.677512  0.057000  0.319637  1
  Cu  Cu9  1  0.610674  0.423247  0.305037  1
  Cu  Cu10  1  0.042140  0.786264  0.291354  1
  Cu  Cu11  1  0.110674  0.423247  0.305037  1
  Cu  Cu12  1  0.542140  0.786264  0.291354  1
  Cu  Cu13  1  0.427512  0.057000  0.319637  1
  Cu  Cu14  1  0.927512  0.057000  0.319637  1
  Cu  Cu15  1  0.860674  0.423247  0.305037  1
  Cu  Cu16  1  0.292140  0.786264  0.291354  1
  Cu  Cu17  1  0.360674  0.423247  0.305037  1
  Cu  Cu18  1  0.792140  0.786264  0.291354  1
  Cu  Cu19  1  0.394365  0.240644  0.312602  1
  Cu  Cu20  1  0.894365  0.240644  0.312602  1
  Cu  Cu21  1  0.826942  0.605795  0.297577  1
  Cu  Cu22  1  0.962836  0.877686  0.328819  1
  Cu  Cu23  1  0.326942  0.605795  0.297577  1
  Cu  Cu24  1  0.462836  0.877686  0.328819  1
  Cu  Cu25  1  0.348165  0.148436  0.359064  1
  Cu  Cu26  1  0.848165  0.148436  0.359064  1
  Cu  Cu27  1  0.780297  0.512634  0.344065  1
  Cu  Cu28  1  0.917067  0.786282  0.376032  1
  Cu  Cu29  1  0.280297  0.512634  0.344065  1
  Cu  Cu30  1  0.417067  0.786282  0.376032  1
  Cu  Cu31  1  0.883165  0.968450  0.367753  1
  Cu  Cu32  1  0.383165  0.968450  0.367753  1
  Cu  Cu33  1  0.314267  0.330594  0.351637  1
  Cu  Cu34  1  0.746329  0.694686  0.336728  1
  Cu  Cu35  1  0.814267  0.330594  0.351637  1
  Cu  Cu36  1  0.246329  0.694686  0.336728  1
  Cu  Cu37  1  0.133165  0.968450  0.367753  1
  Cu  Cu38  1  0.633165  0.968450  0.367753  1
  Cu  Cu39  1  0.564267  0.330594  0.351637  1
  Cu  Cu40  1  0.996329  0.694686  0.336728  1
  Cu  Cu41  1  0.064267  0.330594  0.351637  1
  Cu  Cu42  1  0.496329  0.694686  0.336728  1
  Cu  Cu43  1  0.098165  0.148436  0.359064  1
  Cu  Cu44  1  0.598165  0.148436  0.359064  1
  Cu  Cu45  1  0.530297  0.512634  0.344065  1
  Cu  Cu46  1  0.667067  0.786282  0.376032  1
  Cu  Cu47  1  0.030297  0.512634  0.344065  1
  Cu  Cu48  1  0.167067  0.786282  0.376032  1
  Cu  Cu49  1  0.052864  0.057958  0.407420  1
  Cu  Cu50  1  0.552864  0.057958  0.407420  1
  Cu  Cu51  1  0.484453  0.421088  0.391545  1
  Cu  Cu52  1  0.620907  0.694104  0.423667  1
  Cu  Cu53  1  0.984453  0.421088  0.391545  1
  Cu  Cu54  1  0.120907  0.694104  0.423667  1
  Cu  Cu55  1  0.587019  0.876313  0.415669  1
  Cu  Cu56  1  0.087019  0.876313  0.415669  1
  Cu  Cu57  1  0.018358  0.238937  0.399159  1
  Cu  Cu58  1  0.450627  0.603430  0.383909  1
  Cu  Cu59  1  0.518358  0.238937  0.399159  1
  Cu  Cu60  1  0.950627  0.603430  0.383909  1
  Cu  Cu61  1  0.837019  0.876313  0.415669  1
  Cu  Cu62  1  0.337019  0.876313  0.415669  1
  Cu  Cu63  1  0.268358  0.238937  0.399159  1
  Cu  Cu64  1  0.700627  0.603430  0.383909  1
  Cu  Cu65  1  0.768358  0.238937  0.399159  1
  Cu  Cu66  1  0.200627  0.603430  0.383909  1
  Cu  Cu67  1  0.802864  0.057958  0.407420  1
  Cu  Cu68  1  0.302864  0.057958  0.407420  1
  Cu  Cu69  1  0.234453  0.421088  0.391545  1
  Cu  Cu70  1  0.370907  0.694104  0.423667  1
  Cu  Cu71  1  0.734453  0.421088  0.391545  1
  Cu  Cu72  1  0.870907  0.694104  0.423667  1
  Cu  Cu73  1  0.757007  0.966409  0.455377  1
  Cu  Cu74  1  0.257007  0.966409  0.455377  1
  Cu  Cu75  1  0.188661  0.329653  0.439203  1
  Cu  Cu76  1  0.324985  0.602388  0.471370  1
  Cu  Cu77  1  0.688661  0.329653  0.439203  1
  Cu  Cu78  1  0.824985  0.602388  0.471370  1
  Cu  Cu79  1  0.291015  0.784433  0.463436  1
  Cu  Cu80  1  0.791015  0.784433  0.463436  1
  Cu  Cu81  1  0.722872  0.148100  0.447231  1
  Cu  Cu82  1  0.154754  0.511809  0.431487  1
  Cu  Cu83  1  0.222872  0.148100  0.447231  1
  Cu  Cu84  1  0.654754  0.511809  0.431487  1
  Cu  Cu85  1  0.541015  0.784433  0.463436  1
  Cu  Cu86  1  0.041015  0.784433  0.463436  1
  Cu  Cu87  1  0.972872  0.148100  0.447231  1
  Cu  Cu88  1  0.404754  0.511809  0.431487  1
  Cu  Cu89  1  0.472872  0.148100  0.447231  1
  Cu  Cu90  1  0.904754  0.511809  0.431487  1
  Cu  Cu91  1  0.507007  0.966409  0.455377  1
  Cu  Cu92  1  0.007007  0.966409  0.455377  1
  Cu  Cu93  1  0.938661  0.329653  0.439203  1
  Cu  Cu94  1  0.074985  0.602388  0.471370  1
  Cu  Cu95  1  0.438661  0.329653  0.439203  1
  Cu  Cu96  1  0.574985  0.602388  0.471370  1
  Cu  Cu97  1  0.461092  0.874696  0.503196  1
  Cu  Cu98  1  0.961092  0.874696  0.503196  1
  Cu  Cu99  1  0.892988  0.238453  0.487079  1
  Cu  Cu100  1  0.029203  0.510977  0.519134  1
  Cu  Cu101  1  0.392988  0.238453  0.487079  1
  Cu  Cu102  1  0.529203  0.510977  0.519134  1
  Cu  Cu103  1  0.995155  0.692850  0.511236  1
  Cu  Cu104  1  0.495155  0.692850  0.511236  1
  Cu  Cu105  1  0.427051  0.056607  0.495118  1
  Cu  Cu106  1  0.858939  0.420326  0.479181  1
  Cu  Cu107  1  0.927051  0.056607  0.495118  1
  Cu  Cu108  1  0.358939  0.420326  0.479181  1
  Cu  Cu109  1  0.245155  0.692850  0.511236  1
  Cu  Cu110  1  0.745155  0.692850  0.511236  1
  Cu  Cu111  1  0.677051  0.056607  0.495118  1
  Cu  Cu112  1  0.108939  0.420326  0.479181  1
  Cu  Cu113  1  0.177051  0.056607  0.495118  1
  Cu  Cu114  1  0.608939  0.420326  0.479181  1
  Cu  Cu115  1  0.211092  0.874696  0.503196  1
  Cu  Cu116  1  0.711092  0.874696  0.503196  1
  Cu  Cu117  1  0.642988  0.238453  0.487079  1
  Cu  Cu118  1  0.779203  0.510977  0.519134  1
  Cu  Cu119  1  0.142988  0.238453  0.487079  1
  Cu  Cu120  1  0.279203  0.510977  0.519134  1
  Cu  Cu121  1  0.165271  0.783203  0.551083  1
  Cu  Cu122  1  0.665271  0.783203  0.551083  1
  Cu  Cu123  1  0.597127  0.146870  0.534878  1
  Cu  Cu124  1  0.733389  0.419494  0.566828  1
  Cu  Cu125  1  0.097127  0.146870  0.534878  1
  Cu  Cu126  1  0.233389  0.419494  0.566828  1
  Cu  Cu127  1  0.699482  0.601650  0.559111  1
  Cu  Cu128  1  0.199482  0.601650  0.559111  1
  Cu  Cu129  1  0.131135  0.964894  0.542938  1
  Cu  Cu130  1  0.563157  0.328915  0.526945  1
  Cu  Cu131  1  0.631135  0.964894  0.542938  1
  Cu  Cu132  1  0.063157  0.328915  0.526945  1
  Cu  Cu133  1  0.949482  0.601650  0.559111  1
  Cu  Cu134  1  0.449482  0.601650  0.559111  1
  Cu  Cu135  1  0.381135  0.964894  0.542938  1
  Cu  Cu136  1  0.813157  0.328915  0.526945  1
  Cu  Cu137  1  0.881135  0.964894  0.542938  1
  Cu  Cu138  1  0.313157  0.328915  0.526945  1
  Cu  Cu139  1  0.915271  0.783203  0.551083  1
  Cu  Cu140  1  0.415271  0.783203  0.551083  1
  Cu  Cu141  1  0.347127  0.146870  0.534878  1
  Cu  Cu142  1  0.483389  0.419494  0.566828  1
  Cu  Cu143  1  0.847127  0.146870  0.534878  1
  Cu  Cu144  1  0.983389  0.419494  0.566828  1
  Cu  Cu145  1  0.869785  0.692366  0.599156  1
  Cu  Cu146  1  0.369785  0.692366  0.599156  1
  Cu  Cu147  1  0.301123  0.054990  0.582646  1
  Cu  Cu148  1  0.437516  0.327873  0.614406  1
  Cu  Cu149  1  0.801123  0.054990  0.582646  1
  Cu  Cu150  1  0.937516  0.327873  0.614406  1
  Cu  Cu151  1  0.403690  0.510215  0.606769  1
  Cu  Cu152  1  0.903690  0.510215  0.606769  1
  Cu  Cu153  1  0.835279  0.873345  0.590894  1
  Cu  Cu154  1  0.267235  0.237199  0.574647  1
  Cu  Cu155  1  0.335279  0.873345  0.590894  1
  Cu  Cu156  1  0.767235  0.237199  0.574647  1
  Cu  Cu157  1  0.653690  0.510215  0.606769  1
  Cu  Cu158  1  0.153690  0.510215  0.606769  1
  Cu  Cu159  1  0.085279  0.873345  0.590894  1
  Cu  Cu160  1  0.517235  0.237199  0.574647  1
  Cu  Cu161  1  0.585279  0.873345  0.590894  1
  Cu  Cu162  1  0.017235  0.237199  0.574647  1
  Cu  Cu163  1  0.619785  0.692366  0.599156  1
  Cu  Cu164  1  0.119785  0.692366  0.599156  1
  Cu  Cu165  1  0.051123  0.054990  0.582646  1
  Cu  Cu166  1  0.187516  0.327873  0.614406  1
  Cu  Cu167  1  0.551123  0.054990  0.582646  1
  Cu  Cu168  1  0.687516  0.327873  0.614406  1
  Cu  Cu169  1  0.573876  0.600709  0.646677  1
  Cu  Cu170  1  0.073876  0.600709  0.646677  1
  Cu  Cu171  1  0.004978  0.962853  0.630561  1
  Cu  Cu172  1  0.141814  0.236617  0.661586  1
  Cu  Cu173  1  0.504978  0.962853  0.630561  1
  Cu  Cu174  1  0.641814  0.236617  0.661586  1
  Cu  Cu175  1  0.107845  0.418669  0.654249  1
  Cu  Cu176  1  0.607845  0.418669  0.654249  1
  Cu  Cu177  1  0.539978  0.782867  0.639250  1
  Cu  Cu178  1  0.971075  0.145021  0.622283  1
  Cu  Cu179  1  0.039978  0.782867  0.639250  1
  Cu  Cu180  1  0.471075  0.145021  0.622283  1
  Cu  Cu181  1  0.357845  0.418669  0.654249  1
  Cu  Cu182  1  0.857845  0.418669  0.654249  1
  Cu  Cu183  1  0.789978  0.782867  0.639250  1
  Cu  Cu184  1  0.221075  0.145021  0.622283  1
  Cu  Cu185  1  0.289978  0.782867  0.639250  1
  Cu  Cu186  1  0.721075  0.145021  0.622283  1
  Cu  Cu187  1  0.323876  0.600709  0.646677  1
  Cu  Cu188  1  0.823876  0.600709  0.646677  1
  Cu  Cu189  1  0.754978  0.962853  0.630561  1
  Cu  Cu190  1  0.891814  0.236617  0.661586  1
  Cu  Cu191  1  0.254978  0.962853  0.630561  1
  Cu  Cu192  1  0.391814  0.236617  0.661586  1
  Cu  Cu193  1  0.277469  0.508056  0.693277  1
  Cu  Cu194  1  0.777469  0.508056  0.693277  1
  Cu  Cu195  1  0.710630  0.874303  0.678677  1
  Cu  Cu196  1  0.846003  0.145039  0.706960  1
  Cu  Cu197  1  0.210630  0.874303  0.678677  1
  Cu  Cu198  1  0.346003  0.145039  0.706960  1
  Cu  Cu199  1  0.811200  0.325508  0.700737  1
  Cu  Cu200  1  0.311200  0.325508  0.700737  1
  Cu  Cu201  1  0.243778  0.690659  0.685712  1
  Cu  Cu202  1  0.675307  0.053617  0.669496  1
  Cu  Cu203  1  0.743778  0.690659  0.685712  1
  Cu  Cu204  1  0.175307  0.053617  0.669496  1
  Cu  Cu205  1  0.061200  0.325508  0.700737  1
  Cu  Cu206  1  0.561200  0.325508  0.700737  1
  Cu  Cu207  1  0.493778  0.690659  0.685712  1
  Cu  Cu208  1  0.925307  0.053617  0.669496  1
  Cu  Cu209  1  0.993778  0.690659  0.685712  1
  Cu  Cu210  1  0.425307  0.053617  0.669496  1
  Cu  Cu211  1  0.027469  0.508056  0.693277  1
  Cu  Cu212  1  0.527469  0.508056  0.693277  1
  Cu  Cu213  1  0.460630  0.874303  0.678677  1
  Cu  Cu214  1  0.596003  0.145039  0.706960  1
  Cu  Cu215  1  0.960630  0.874303  0.678677  1
  Cu  Cu216  1  0.096003  0.145039  0.706960  1
