# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.26971215
_cell_length_b   11.36768110
_cell_length_c   46.74078188
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.77656466
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu216
_cell_volume   5720.21622577
_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  0.383907  0.204803  0.291398  1
  Cu  Cu2  1  0.050573  0.204803  0.291398  1
  Cu  Cu3  1  0.981609  0.730079  0.279819  1
  Cu  Cu4  1  0.717240  0.204803  0.291398  1
  Cu  Cu5  1  0.648276  0.730079  0.279819  1
  Cu  Cu6  1  0.314943  0.730079  0.279819  1
  Cu  Cu7  1  0.196362  0.939882  0.296689  1
  Cu  Cu8  1  0.863028  0.939882  0.296689  1
  Cu  Cu9  1  0.793094  0.468466  0.285357  1
  Cu  Cu10  1  0.529695  0.939882  0.296689  1
  Cu  Cu11  1  0.459761  0.468466  0.285357  1
  Cu  Cu12  1  0.126427  0.468466  0.285357  1
  Cu  Cu13  1  0.188784  0.148729  0.314550  1
  Cu  Cu14  1  0.855451  0.148729  0.314550  1
  Cu  Cu15  1  0.785854  0.675217  0.302670  1
  Cu  Cu16  1  0.522118  0.148729  0.314550  1
  Cu  Cu17  1  0.452521  0.675217  0.302670  1
  Cu  Cu18  1  0.119187  0.675217  0.302670  1
  Cu  Cu19  1  1.001991  0.885558  0.320701  1
  Cu  Cu20  1  0.668657  0.885558  0.320701  1
  Cu  Cu21  1  0.598674  0.412627  0.308458  1
  Cu  Cu22  1  0.335324  0.885558  0.320701  1
  Cu  Cu23  1  0.265341  0.412627  0.308458  1
  Cu  Cu24  1  0.932007  0.412627  0.308458  1
  Cu  Cu25  1  0.992298  0.090294  0.339813  1
  Cu  Cu26  1  0.658964  0.090294  0.339813  1
  Cu  Cu27  1  0.590656  0.619207  0.327745  1
  Cu  Cu28  1  0.325631  0.090294  0.339813  1
  Cu  Cu29  1  0.257323  0.619207  0.327745  1
  Cu  Cu30  1  0.923990  0.619207  0.327745  1
  Cu  Cu31  1  0.805316  0.825978  0.345656  1
  Cu  Cu32  1  0.471982  0.825978  0.345656  1
  Cu  Cu33  1  0.402956  0.354708  0.333772  1
  Cu  Cu34  1  0.138649  0.825978  0.345656  1
  Cu  Cu35  1  0.069622  0.354708  0.333772  1
  Cu  Cu36  1  0.736289  0.354708  0.333772  1
  Cu  Cu37  1  0.797177  0.033127  0.364557  1
  Cu  Cu38  1  0.463844  0.033127  0.364557  1
  Cu  Cu39  1  0.394731  0.561109  0.352203  1
  Cu  Cu40  1  0.130511  0.033127  0.364557  1
  Cu  Cu41  1  0.061397  0.561109  0.352203  1
  Cu  Cu42  1  0.728064  0.561109  0.352203  1
  Cu  Cu43  1  0.610182  0.769239  0.370955  1
  Cu  Cu44  1  0.276849  0.769239  0.370955  1
  Cu  Cu45  1  0.207268  0.296937  0.358265  1
  Cu  Cu46  1  0.943516  0.769239  0.370955  1
  Cu  Cu47  1  0.873934  0.296937  0.358265  1
  Cu  Cu48  1  0.540601  0.296937  0.358265  1
  Cu  Cu49  1  0.601300  0.975437  0.389781  1
  Cu  Cu50  1  0.267966  0.975437  0.389781  1
  Cu  Cu51  1  0.199367  0.504192  0.377469  1
  Cu  Cu52  1  0.934633  0.975437  0.389781  1
  Cu  Cu53  1  0.866034  0.504192  0.377469  1
  Cu  Cu54  1  0.532700  0.504192  0.377469  1
  Cu  Cu55  1  0.414647  0.711172  0.396036  1
  Cu  Cu56  1  0.081314  0.711172  0.396036  1
  Cu  Cu57  1  0.012154  0.239792  0.383628  1
  Cu  Cu58  1  0.747981  0.711172  0.396036  1
  Cu  Cu59  1  0.678821  0.239792  0.383628  1
  Cu  Cu60  1  0.345487  0.239792  0.383628  1
  Cu  Cu61  1  0.405815  0.917941  0.414937  1
  Cu  Cu62  1  0.072482  0.917941  0.414937  1
  Cu  Cu63  1  1.003496  0.446418  0.402406  1
  Cu  Cu64  1  0.739148  0.917941  0.414937  1
  Cu  Cu65  1  0.670163  0.446418  0.402406  1
  Cu  Cu66  1  0.336829  0.446418  0.402406  1
  Cu  Cu67  1  0.219147  0.653522  0.421257  1
  Cu  Cu68  1  0.885814  0.653522  0.421257  1
  Cu  Cu69  1  0.816751  0.182114  0.408646  1
  Cu  Cu70  1  0.552480  0.653522  0.421257  1
  Cu  Cu71  1  0.483417  0.182114  0.408646  1
  Cu  Cu72  1  0.150084  0.182114  0.408646  1
  Cu  Cu73  1  0.210242  0.860193  0.440054  1
  Cu  Cu74  1  0.876909  0.860193  0.440054  1
  Cu  Cu75  1  0.807996  0.388929  0.427587  1
  Cu  Cu76  1  0.543575  0.860193  0.440054  1
  Cu  Cu77  1  0.474663  0.388929  0.427587  1
  Cu  Cu78  1  0.141330  0.388929  0.427587  1
  Cu  Cu79  1  0.023609  0.595747  0.446351  1
  Cu  Cu80  1  0.690275  0.595747  0.446351  1
  Cu  Cu81  1  0.621344  0.124505  0.433823  1
  Cu  Cu82  1  0.356942  0.595747  0.446351  1
  Cu  Cu83  1  0.288010  0.124505  0.433823  1
  Cu  Cu84  1  0.954677  0.124505  0.433823  1
  Cu  Cu85  1  0.014768  0.802551  0.465216  1
  Cu  Cu86  1  0.681435  0.802551  0.465216  1
  Cu  Cu87  1  0.612475  0.331260  0.452658  1
  Cu  Cu88  1  0.348102  0.802551  0.465216  1
  Cu  Cu89  1  0.279141  0.331260  0.452658  1
  Cu  Cu90  1  0.945808  0.331260  0.452658  1
  Cu  Cu91  1  0.828120  0.538101  0.471518  1
  Cu  Cu92  1  0.494787  0.538101  0.471518  1
  Cu  Cu93  1  0.425854  0.066875  0.458953  1
  Cu  Cu94  1  0.161454  0.538101  0.471518  1
  Cu  Cu95  1  0.092520  0.066875  0.458953  1
  Cu  Cu96  1  0.759187  0.066875  0.458953  1
  Cu  Cu97  1  0.819261  0.744862  0.490334  1
  Cu  Cu98  1  0.485928  0.744862  0.490334  1
  Cu  Cu99  1  0.416993  0.273641  0.477799  1
  Cu  Cu100  1  0.152595  0.744862  0.490334  1
  Cu  Cu101  1  0.083659  0.273641  0.477799  1
  Cu  Cu102  1  0.750326  0.273641  0.477799  1
  Cu  Cu103  1  0.632623  0.480419  0.496636  1
  Cu  Cu104  1  0.299289  0.480419  0.496636  1
  Cu  Cu105  1  0.230360  0.009197  0.484081  1
  Cu  Cu106  1  0.965956  0.480419  0.496636  1
  Cu  Cu107  1  0.897026  0.009197  0.484081  1
  Cu  Cu108  1  0.563693  0.009197  0.484081  1
  Cu  Cu109  1  0.623783  0.687221  0.515484  1
  Cu  Cu110  1  0.290449  0.687221  0.515484  1
  Cu  Cu111  1  0.221520  0.215999  0.502929  1
  Cu  Cu112  1  0.957116  0.687221  0.515484  1
  Cu  Cu113  1  0.888187  0.215999  0.502929  1
  Cu  Cu114  1  0.554853  0.215999  0.502929  1
  Cu  Cu115  1  0.437150  0.422778  0.521766  1
  Cu  Cu116  1  0.103816  0.422778  0.521766  1
  Cu  Cu117  1  0.034881  0.951556  0.509231  1
  Cu  Cu118  1  0.770483  0.422778  0.521766  1
  Cu  Cu119  1  0.701548  0.951556  0.509231  1
  Cu  Cu120  1  0.368214  0.951556  0.509231  1
  Cu  Cu121  1  0.428289  0.629543  0.540611  1
  Cu  Cu122  1  0.094956  0.629543  0.540611  1
  Cu  Cu123  1  0.026022  0.158318  0.528046  1
  Cu  Cu124  1  0.761622  0.629543  0.540611  1
  Cu  Cu125  1  0.692689  0.158318  0.528046  1
  Cu  Cu126  1  0.359356  0.158318  0.528046  1
  Cu  Cu127  1  0.241668  0.365159  0.546906  1
  Cu  Cu128  1  0.908334  0.365159  0.546906  1
  Cu  Cu129  1  0.839374  0.893868  0.534349  1
  Cu  Cu130  1  0.575001  0.365159  0.546906  1
  Cu  Cu131  1  0.506041  0.893868  0.534349  1
  Cu  Cu132  1  0.172708  0.893868  0.534349  1
  Cu  Cu133  1  0.232799  0.571913  0.565741  1
  Cu  Cu134  1  0.899465  0.571913  0.565741  1
  Cu  Cu135  1  0.830534  0.100672  0.553213  1
  Cu  Cu136  1  0.566132  0.571913  0.565741  1
  Cu  Cu137  1  0.497201  0.100672  0.553213  1
  Cu  Cu138  1  0.163867  0.100672  0.553213  1
  Cu  Cu139  1  0.046146  0.307489  0.571977  1
  Cu  Cu140  1  0.712813  0.307489  0.571977  1
  Cu  Cu141  1  0.643901  0.836225  0.559511  1
  Cu  Cu142  1  0.379479  0.307489  0.571977  1
  Cu  Cu143  1  0.310567  0.836225  0.559511  1
  Cu  Cu144  1  0.977234  0.836225  0.559511  1
  Cu  Cu145  1  0.037392  0.514305  0.590918  1
  Cu  Cu146  1  0.704059  0.514305  0.590918  1
  Cu  Cu147  1  0.634996  0.042896  0.578307  1
  Cu  Cu148  1  0.370725  0.514305  0.590918  1
  Cu  Cu149  1  0.301662  0.042896  0.578307  1
  Cu  Cu150  1  0.968329  0.042896  0.578307  1
  Cu  Cu151  1  0.850647  0.250000  0.597158  1
  Cu  Cu152  1  0.517313  0.250000  0.597158  1
  Cu  Cu153  1  0.448328  0.778477  0.584628  1
  Cu  Cu154  1  0.183980  0.250000  0.597158  1
  Cu  Cu155  1  0.114994  0.778477  0.584628  1
  Cu  Cu156  1  0.781661  0.778477  0.584628  1
  Cu  Cu157  1  0.841989  0.456627  0.615937  1
  Cu  Cu158  1  0.508655  0.456627  0.615937  1
  Cu  Cu159  1  0.439495  0.985246  0.603529  1
  Cu  Cu160  1  0.175322  0.456627  0.615937  1
  Cu  Cu161  1  0.106162  0.985246  0.603529  1
  Cu  Cu162  1  0.772828  0.985246  0.603529  1
  Cu  Cu163  1  0.654776  0.192227  0.622095  1
  Cu  Cu164  1  0.321442  0.192227  0.622095  1
  Cu  Cu165  1  0.252843  0.720981  0.609783  1
  Cu  Cu166  1  0.988109  0.192227  0.622095  1
  Cu  Cu167  1  0.919510  0.720981  0.609783  1
  Cu  Cu168  1  0.586176  0.720981  0.609783  1
  Cu  Cu169  1  0.646875  0.399481  0.641299  1
  Cu  Cu170  1  0.313542  0.399481  0.641299  1
  Cu  Cu171  1  0.243960  0.927180  0.628610  1
  Cu  Cu172  1  0.980208  0.399481  0.641299  1
  Cu  Cu173  1  0.910627  0.927180  0.628610  1
  Cu  Cu174  1  0.577293  0.927180  0.628610  1
  Cu  Cu175  1  0.459412  0.135310  0.647361  1
  Cu  Cu176  1  0.126078  0.135310  0.647361  1
  Cu  Cu177  1  0.056965  0.663291  0.635008  1
  Cu  Cu178  1  0.792745  0.135310  0.647361  1
  Cu  Cu179  1  0.723632  0.663291  0.635008  1
  Cu  Cu180  1  0.390299  0.663291  0.635008  1
  Cu  Cu181  1  0.451187  0.341710  0.665792  1
  Cu  Cu182  1  0.117853  0.341710  0.665792  1
  Cu  Cu183  1  0.048827  0.870440  0.653909  1
  Cu  Cu184  1  0.784520  0.341710  0.665792  1
  Cu  Cu185  1  0.715493  0.870440  0.653909  1
  Cu  Cu186  1  0.382160  0.870440  0.653909  1
  Cu  Cu187  1  0.263486  0.077212  0.671820  1
  Cu  Cu188  1  0.930153  0.077212  0.671820  1
  Cu  Cu189  1  0.861845  0.606124  0.659752  1
  Cu  Cu190  1  0.596819  0.077212  0.671820  1
  Cu  Cu191  1  0.528512  0.606124  0.659752  1
  Cu  Cu192  1  0.195178  0.606124  0.659752  1
  Cu  Cu193  1  0.255469  0.283792  0.691107  1
  Cu  Cu194  1  0.922135  0.283792  0.691107  1
  Cu  Cu195  1  0.852152  0.810860  0.678863  1
  Cu  Cu196  1  0.588802  0.283792  0.691107  1
  Cu  Cu197  1  0.518819  0.810860  0.678863  1
  Cu  Cu198  1  0.185485  0.810860  0.678863  1
  Cu  Cu199  1  0.068289  0.021201  0.696894  1
  Cu  Cu200  1  0.734955  0.021201  0.696894  1
  Cu  Cu201  1  0.665358  0.547689  0.685015  1
  Cu  Cu202  1  0.401622  0.021201  0.696894  1
  Cu  Cu203  1  0.332025  0.547689  0.685015  1
  Cu  Cu204  1  0.998691  0.547689  0.685015  1
  Cu  Cu205  1  0.061048  0.227952  0.714208  1
  Cu  Cu206  1  0.727715  0.227952  0.714208  1
  Cu  Cu207  1  0.657781  0.756537  0.702875  1
  Cu  Cu208  1  0.394382  0.227952  0.714208  1
  Cu  Cu209  1  0.324447  0.756537  0.702875  1
  Cu  Cu210  1  0.991114  0.756537  0.702875  1
  Cu  Cu211  1  0.872533  0.966339  0.719746  1
  Cu  Cu212  1  0.539200  0.966339  0.719746  1
  Cu  Cu213  1  0.470236  0.491616  0.708167  1
  Cu  Cu214  1  0.205867  0.966339  0.719746  1
  Cu  Cu215  1  0.136903  0.491616  0.708167  1
  Cu  Cu216  1  0.803569  0.491616  0.708167  1
