# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.18542569
_cell_length_b   12.96884025
_cell_length_c   46.26714452
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.90653073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu216
_cell_volume   5621.82973935
_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  0.222239  0.267205  0.311341  1
  Cu  Cu2  1  0.722239  0.267205  0.311341  1
  Cu  Cu3  1  0.288945  0.633722  0.295706  1
  Cu  Cu4  1  0.356545  0.998609  0.280725  1
  Cu  Cu5  1  0.788945  0.633722  0.295706  1
  Cu  Cu6  1  0.856545  0.998609  0.280725  1
  Cu  Cu7  1  0.436975  0.087772  0.321023  1
  Cu  Cu8  1  0.936975  0.087772  0.321023  1
  Cu  Cu9  1  0.505381  0.450867  0.303752  1
  Cu  Cu10  1  0.572495  0.816635  0.287752  1
  Cu  Cu11  1  0.005381  0.450867  0.303752  1
  Cu  Cu12  1  0.072495  0.816635  0.287752  1
  Cu  Cu13  1  0.186975  0.087772  0.321023  1
  Cu  Cu14  1  0.686975  0.087772  0.321023  1
  Cu  Cu15  1  0.255381  0.450867  0.303752  1
  Cu  Cu16  1  0.322495  0.816635  0.287752  1
  Cu  Cu17  1  0.755381  0.450867  0.303752  1
  Cu  Cu18  1  0.822495  0.816635  0.287752  1
  Cu  Cu19  1  0.472239  0.267205  0.311341  1
  Cu  Cu20  1  0.972239  0.267205  0.311341  1
  Cu  Cu21  1  0.538945  0.633722  0.295706  1
  Cu  Cu22  1  0.606545  0.998609  0.280725  1
  Cu  Cu23  1  0.038945  0.633722  0.295706  1
  Cu  Cu24  1  0.106545  0.998609  0.280725  1
  Cu  Cu25  1  0.016490  0.178838  0.361978  1
  Cu  Cu26  1  0.516490  0.178838  0.361978  1
  Cu  Cu27  1  0.085258  0.541248  0.344940  1
  Cu  Cu28  1  0.153217  0.905297  0.329070  1
  Cu  Cu29  1  0.585258  0.541248  0.344940  1
  Cu  Cu30  1  0.653217  0.905297  0.329070  1
  Cu  Cu31  1  0.232653  0.996533  0.370544  1
  Cu  Cu32  1  0.732653  0.996533  0.370544  1
  Cu  Cu33  1  0.301383  0.359037  0.352866  1
  Cu  Cu34  1  0.369213  0.723314  0.336903  1
  Cu  Cu35  1  0.801383  0.359037  0.352866  1
  Cu  Cu36  1  0.869213  0.723314  0.336903  1
  Cu  Cu37  1  0.982653  0.996533  0.370544  1
  Cu  Cu38  1  0.482653  0.996533  0.370544  1
  Cu  Cu39  1  0.051383  0.359037  0.352866  1
  Cu  Cu40  1  0.119213  0.723314  0.336903  1
  Cu  Cu41  1  0.551383  0.359037  0.352866  1
  Cu  Cu42  1  0.619213  0.723314  0.336903  1
  Cu  Cu43  1  0.266490  0.178838  0.361978  1
  Cu  Cu44  1  0.766490  0.178838  0.361978  1
  Cu  Cu45  1  0.335258  0.541248  0.344940  1
  Cu  Cu46  1  0.403217  0.905297  0.329070  1
  Cu  Cu47  1  0.835258  0.541248  0.344940  1
  Cu  Cu48  1  0.903217  0.905297  0.329070  1
  Cu  Cu49  1  0.812493  0.086960  0.412147  1
  Cu  Cu50  1  0.312493  0.086960  0.412147  1
  Cu  Cu51  1  0.881071  0.449768  0.394894  1
  Cu  Cu52  1  0.948939  0.813981  0.378746  1
  Cu  Cu53  1  0.381071  0.449768  0.394894  1
  Cu  Cu54  1  0.448939  0.813981  0.378746  1
  Cu  Cu55  1  0.028608  0.904755  0.420496  1
  Cu  Cu56  1  0.528608  0.904755  0.420496  1
  Cu  Cu57  1  0.096596  0.268731  0.403572  1
  Cu  Cu58  1  0.165033  0.631817  0.386820  1
  Cu  Cu59  1  0.596596  0.268731  0.403572  1
  Cu  Cu60  1  0.665033  0.631817  0.386820  1
  Cu  Cu61  1  0.778608  0.904755  0.420496  1
  Cu  Cu62  1  0.278608  0.904755  0.420496  1
  Cu  Cu63  1  0.846596  0.268731  0.403572  1
  Cu  Cu64  1  0.915033  0.631817  0.386820  1
  Cu  Cu65  1  0.346596  0.268731  0.403572  1
  Cu  Cu66  1  0.415033  0.631817  0.386820  1
  Cu  Cu67  1  0.062493  0.086960  0.412147  1
  Cu  Cu68  1  0.562493  0.086960  0.412147  1
  Cu  Cu69  1  0.131071  0.449768  0.394894  1
  Cu  Cu70  1  0.198939  0.813981  0.378746  1
  Cu  Cu71  1  0.631071  0.449768  0.394894  1
  Cu  Cu72  1  0.698939  0.813981  0.378746  1
  Cu  Cu73  1  0.608383  0.995315  0.462226  1
  Cu  Cu74  1  0.108383  0.995315  0.462226  1
  Cu  Cu75  1  0.676494  0.359044  0.445313  1
  Cu  Cu76  1  0.744705  0.722584  0.428711  1
  Cu  Cu77  1  0.176494  0.359044  0.445313  1
  Cu  Cu78  1  0.244705  0.722584  0.428711  1
  Cu  Cu79  1  0.824395  0.813313  0.470546  1
  Cu  Cu80  1  0.324395  0.813313  0.470546  1
  Cu  Cu81  1  0.892374  0.177307  0.453815  1
  Cu  Cu82  1  0.960726  0.540565  0.436868  1
  Cu  Cu83  1  0.392374  0.177307  0.453815  1
  Cu  Cu84  1  0.460726  0.540565  0.436868  1
  Cu  Cu85  1  0.574395  0.813313  0.470546  1
  Cu  Cu86  1  0.074395  0.813313  0.470546  1
  Cu  Cu87  1  0.642374  0.177307  0.453815  1
  Cu  Cu88  1  0.710726  0.540565  0.436868  1
  Cu  Cu89  1  0.142374  0.177307  0.453815  1
  Cu  Cu90  1  0.210726  0.540565  0.436868  1
  Cu  Cu91  1  0.858383  0.995315  0.462226  1
  Cu  Cu92  1  0.358383  0.995315  0.462226  1
  Cu  Cu93  1  0.926494  0.359044  0.445313  1
  Cu  Cu94  1  0.994705  0.722584  0.428711  1
  Cu  Cu95  1  0.426494  0.359044  0.445313  1
  Cu  Cu96  1  0.494705  0.722584  0.428711  1
  Cu  Cu97  1  0.404138  0.903937  0.512360  1
  Cu  Cu98  1  0.904138  0.903937  0.512360  1
  Cu  Cu99  1  0.472227  0.267712  0.495516  1
  Cu  Cu100  1  0.540384  0.631355  0.478783  1
  Cu  Cu101  1  0.972227  0.267712  0.495516  1
  Cu  Cu102  1  0.040384  0.631355  0.478783  1
  Cu  Cu103  1  0.620047  0.722138  0.520679  1
  Cu  Cu104  1  0.120047  0.722138  0.520679  1
  Cu  Cu105  1  0.688204  0.085782  0.503946  1
  Cu  Cu106  1  0.756293  0.449556  0.487103  1
  Cu  Cu107  1  0.188204  0.085782  0.503946  1
  Cu  Cu108  1  0.256293  0.449556  0.487103  1
  Cu  Cu109  1  0.370047  0.722138  0.520679  1
  Cu  Cu110  1  0.870047  0.722138  0.520679  1
  Cu  Cu111  1  0.438204  0.085782  0.503946  1
  Cu  Cu112  1  0.506293  0.449556  0.487103  1
  Cu  Cu113  1  0.938204  0.085782  0.503946  1
  Cu  Cu114  1  0.006293  0.449556  0.487103  1
  Cu  Cu115  1  0.654138  0.903937  0.512360  1
  Cu  Cu116  1  0.154138  0.903937  0.512360  1
  Cu  Cu117  1  0.722227  0.267712  0.495516  1
  Cu  Cu118  1  0.790384  0.631355  0.478783  1
  Cu  Cu119  1  0.222227  0.267712  0.495516  1
  Cu  Cu120  1  0.290384  0.631355  0.478783  1
  Cu  Cu121  1  0.199705  0.812929  0.562595  1
  Cu  Cu122  1  0.699705  0.812929  0.562595  1
  Cu  Cu123  1  0.268057  0.176187  0.545648  1
  Cu  Cu124  1  0.336036  0.540181  0.528916  1
  Cu  Cu125  1  0.768057  0.176187  0.545648  1
  Cu  Cu126  1  0.836036  0.540181  0.528916  1
  Cu  Cu127  1  0.415726  0.630909  0.570752  1
  Cu  Cu128  1  0.915726  0.630909  0.570752  1
  Cu  Cu129  1  0.483936  0.994449  0.554150  1
  Cu  Cu130  1  0.552048  0.358179  0.537237  1
  Cu  Cu131  1  0.983936  0.994449  0.554150  1
  Cu  Cu132  1  0.052048  0.358179  0.537237  1
  Cu  Cu133  1  0.165726  0.630909  0.570752  1
  Cu  Cu134  1  0.665726  0.630909  0.570752  1
  Cu  Cu135  1  0.233936  0.994449  0.554150  1
  Cu  Cu136  1  0.302048  0.358179  0.537237  1
  Cu  Cu137  1  0.733936  0.994449  0.554150  1
  Cu  Cu138  1  0.802048  0.358179  0.537237  1
  Cu  Cu139  1  0.449705  0.812929  0.562595  1
  Cu  Cu140  1  0.949705  0.812929  0.562595  1
  Cu  Cu141  1  0.518057  0.176187  0.545648  1
  Cu  Cu142  1  0.586036  0.540181  0.528916  1
  Cu  Cu143  1  0.018057  0.176187  0.545648  1
  Cu  Cu144  1  0.086036  0.540181  0.528916  1
  Cu  Cu145  1  0.995398  0.721676  0.612643  1
  Cu  Cu146  1  0.495398  0.721676  0.612643  1
  Cu  Cu147  1  0.063834  0.084763  0.595891  1
  Cu  Cu148  1  0.131823  0.448739  0.578967  1
  Cu  Cu149  1  0.563834  0.084763  0.595891  1
  Cu  Cu150  1  0.631823  0.448739  0.578967  1
  Cu  Cu151  1  0.211492  0.539512  0.620717  1
  Cu  Cu152  1  0.711492  0.539512  0.620717  1
  Cu  Cu153  1  0.279360  0.903725  0.604569  1
  Cu  Cu154  1  0.347938  0.266534  0.587315  1
  Cu  Cu155  1  0.779360  0.903725  0.604569  1
  Cu  Cu156  1  0.847938  0.266534  0.587315  1
  Cu  Cu157  1  0.961492  0.539512  0.620717  1
  Cu  Cu158  1  0.461492  0.539512  0.620717  1
  Cu  Cu159  1  0.029360  0.903725  0.604569  1
  Cu  Cu160  1  0.097938  0.266534  0.587315  1
  Cu  Cu161  1  0.529360  0.903725  0.604569  1
  Cu  Cu162  1  0.597938  0.266534  0.587315  1
  Cu  Cu163  1  0.245398  0.721676  0.612643  1
  Cu  Cu164  1  0.745398  0.721676  0.612643  1
  Cu  Cu165  1  0.313834  0.084763  0.595891  1
  Cu  Cu166  1  0.381823  0.448739  0.578967  1
  Cu  Cu167  1  0.813834  0.084763  0.595891  1
  Cu  Cu168  1  0.881823  0.448739  0.578967  1
  Cu  Cu169  1  0.791218  0.630179  0.662560  1
  Cu  Cu170  1  0.291218  0.630179  0.662560  1
  Cu  Cu171  1  0.859048  0.994457  0.646596  1
  Cu  Cu172  1  0.927777  0.356961  0.628918  1
  Cu  Cu173  1  0.359048  0.994457  0.646596  1
  Cu  Cu174  1  0.427777  0.356961  0.628918  1
  Cu  Cu175  1  0.007214  0.448197  0.670392  1
  Cu  Cu176  1  0.507214  0.448197  0.670392  1
  Cu  Cu177  1  0.075173  0.812246  0.654523  1
  Cu  Cu178  1  0.143941  0.174656  0.637484  1
  Cu  Cu179  1  0.575173  0.812246  0.654523  1
  Cu  Cu180  1  0.643941  0.174656  0.637484  1
  Cu  Cu181  1  0.757214  0.448197  0.670392  1
  Cu  Cu182  1  0.257214  0.448197  0.670392  1
  Cu  Cu183  1  0.825173  0.812246  0.654523  1
  Cu  Cu184  1  0.893941  0.174656  0.637484  1
  Cu  Cu185  1  0.325173  0.812246  0.654523  1
  Cu  Cu186  1  0.393941  0.174656  0.637484  1
  Cu  Cu187  1  0.041218  0.630179  0.662560  1
  Cu  Cu188  1  0.541218  0.630179  0.662560  1
  Cu  Cu189  1  0.109048  0.994457  0.646596  1
  Cu  Cu190  1  0.177777  0.356961  0.628918  1
  Cu  Cu191  1  0.609048  0.994457  0.646596  1
  Cu  Cu192  1  0.677777  0.356961  0.628918  1
  Cu  Cu193  1  0.587936  0.536858  0.711711  1
  Cu  Cu194  1  0.087936  0.536858  0.711711  1
  Cu  Cu195  1  0.655050  0.902627  0.695711  1
  Cu  Cu196  1  0.723456  0.265721  0.678440  1
  Cu  Cu197  1  0.155050  0.902627  0.695711  1
  Cu  Cu198  1  0.223456  0.265721  0.678440  1
  Cu  Cu199  1  0.803886  0.354885  0.718738  1
  Cu  Cu200  1  0.303886  0.354885  0.718738  1
  Cu  Cu201  1  0.871486  0.719771  0.703757  1
  Cu  Cu202  1  0.938192  0.086289  0.688122  1
  Cu  Cu203  1  0.371486  0.719771  0.703757  1
  Cu  Cu204  1  0.438192  0.086289  0.688122  1
  Cu  Cu205  1  0.553886  0.354885  0.718738  1
  Cu  Cu206  1  0.053886  0.354885  0.718738  1
  Cu  Cu207  1  0.621486  0.719771  0.703757  1
  Cu  Cu208  1  0.688192  0.086289  0.688122  1
  Cu  Cu209  1  0.121486  0.719771  0.703757  1
  Cu  Cu210  1  0.188192  0.086289  0.688122  1
  Cu  Cu211  1  0.837936  0.536858  0.711711  1
  Cu  Cu212  1  0.337936  0.536858  0.711711  1
  Cu  Cu213  1  0.905050  0.902627  0.695711  1
  Cu  Cu214  1  0.973456  0.265721  0.678440  1
  Cu  Cu215  1  0.405050  0.902627  0.695711  1
  Cu  Cu216  1  0.473456  0.265721  0.678440  1
