# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.05787105
_cell_length_b   9.70973098
_cell_length_c   45.97524218
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.15359495
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu168
_cell_volume   4479.39588209
_cell_formula_units_Z   168
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  0.239298  0.067752  0.294819  1
  Cu  Cu2  1  0.628937  0.088378  0.285627  1
  Cu  Cu3  1  0.854064  0.046898  0.304053  1
  Cu  Cu4  1  0.239298  0.567752  0.294819  1
  Cu  Cu5  1  0.628937  0.588378  0.285627  1
  Cu  Cu6  1  0.854064  0.546898  0.304053  1
  Cu  Cu7  1  0.293972  0.293506  0.305615  1
  Cu  Cu8  1  0.677174  0.315336  0.296059  1
  Cu  Cu9  1  0.067066  0.334669  0.287128  1
  Cu  Cu10  1  0.293972  0.793506  0.305615  1
  Cu  Cu11  1  0.677174  0.815336  0.296059  1
  Cu  Cu12  1  0.067066  0.834669  0.287128  1
  Cu  Cu13  1  0.078628  0.010639  0.324916  1
  Cu  Cu14  1  0.464839  0.025925  0.314310  1
  Cu  Cu15  1  0.691743  0.988003  0.335706  1
  Cu  Cu16  1  0.078628  0.510639  0.324916  1
  Cu  Cu17  1  0.464839  0.525925  0.314310  1
  Cu  Cu18  1  0.691743  0.488003  0.335706  1
  Cu  Cu19  1  0.129205  0.236824  0.337374  1
  Cu  Cu20  1  0.514987  0.255771  0.326794  1
  Cu  Cu21  1  0.903275  0.274255  0.315425  1
  Cu  Cu22  1  0.129205  0.736824  0.337374  1
  Cu  Cu23  1  0.514987  0.755771  0.326794  1
  Cu  Cu24  1  0.903275  0.774255  0.315425  1
  Cu  Cu25  1  0.916808  0.948937  0.355676  1
  Cu  Cu26  1  0.303194  0.968875  0.345975  1
  Cu  Cu27  1  0.528980  0.929822  0.366418  1
  Cu  Cu28  1  0.916808  0.448937  0.355676  1
  Cu  Cu29  1  0.303194  0.468875  0.345975  1
  Cu  Cu30  1  0.528980  0.429822  0.366418  1
  Cu  Cu31  1  0.965102  0.177319  0.367878  1
  Cu  Cu32  1  0.353346  0.195715  0.357585  1
  Cu  Cu33  1  0.740884  0.215234  0.347069  1
  Cu  Cu34  1  0.965102  0.677319  0.367878  1
  Cu  Cu35  1  0.353346  0.695715  0.357585  1
  Cu  Cu36  1  0.740884  0.715234  0.347069  1
  Cu  Cu37  1  0.754112  0.890095  0.387393  1
  Cu  Cu38  1  0.141060  0.910968  0.376992  1
  Cu  Cu39  1  0.366480  0.870632  0.397856  1
  Cu  Cu40  1  0.754112  0.390095  0.387393  1
  Cu  Cu41  1  0.141060  0.410968  0.376992  1
  Cu  Cu42  1  0.366480  0.370632  0.397856  1
  Cu  Cu43  1  0.803310  0.117446  0.399290  1
  Cu  Cu44  1  0.190464  0.137778  0.389152  1
  Cu  Cu45  1  0.577989  0.157257  0.378600  1
  Cu  Cu46  1  0.803310  0.617446  0.399290  1
  Cu  Cu47  1  0.190464  0.637778  0.389152  1
  Cu  Cu48  1  0.577989  0.657257  0.378600  1
  Cu  Cu49  1  0.591536  0.831526  0.418710  1
  Cu  Cu50  1  0.978798  0.851354  0.408165  1
  Cu  Cu51  1  0.203798  0.812210  0.429200  1
  Cu  Cu52  1  0.591536  0.331526  0.418710  1
  Cu  Cu53  1  0.978798  0.351354  0.408165  1
  Cu  Cu54  1  0.203798  0.312210  0.429200  1
  Cu  Cu55  1  0.640703  0.058885  0.430783  1
  Cu  Cu56  1  0.027836  0.078851  0.420318  1
  Cu  Cu57  1  0.415623  0.098019  0.409894  1
  Cu  Cu58  1  0.640703  0.558885  0.430783  1
  Cu  Cu59  1  0.027836  0.578851  0.420318  1
  Cu  Cu60  1  0.415623  0.598019  0.409894  1
  Cu  Cu61  1  0.428964  0.772665  0.450071  1
  Cu  Cu62  1  0.816400  0.792241  0.439602  1
  Cu  Cu63  1  0.041331  0.753210  0.460491  1
  Cu  Cu64  1  0.428964  0.272665  0.450071  1
  Cu  Cu65  1  0.816400  0.292241  0.439602  1
  Cu  Cu66  1  0.041331  0.253210  0.460491  1
  Cu  Cu67  1  0.478159  0.999999  0.462144  1
  Cu  Cu68  1  0.865604  0.019632  0.451651  1
  Cu  Cu69  1  0.253084  0.039327  0.441281  1
  Cu  Cu70  1  0.478159  0.499999  0.462144  1
  Cu  Cu71  1  0.865604  0.519632  0.451651  1
  Cu  Cu72  1  0.253084  0.539327  0.441281  1
  Cu  Cu73  1  0.266377  0.713912  0.481422  1
  Cu  Cu74  1  0.653953  0.733412  0.470969  1
  Cu  Cu75  1  0.878916  0.694213  0.491868  1
  Cu  Cu76  1  0.266377  0.213912  0.481422  1
  Cu  Cu77  1  0.653953  0.233412  0.470969  1
  Cu  Cu78  1  0.878916  0.194213  0.491868  1
  Cu  Cu79  1  0.315609  0.941191  0.493500  1
  Cu  Cu80  1  0.703169  0.960736  0.483044  1
  Cu  Cu81  1  0.090521  0.980540  0.472595  1
  Cu  Cu82  1  0.315609  0.441191  0.493500  1
  Cu  Cu83  1  0.703169  0.460736  0.483044  1
  Cu  Cu84  1  0.090521  0.480540  0.472595  1
  Cu  Cu85  1  0.103867  0.655043  0.512768  1
  Cu  Cu86  1  0.491426  0.674588  0.502312  1
  Cu  Cu87  1  0.716514  0.635239  0.523218  1
  Cu  Cu88  1  0.103867  0.155043  0.512768  1
  Cu  Cu89  1  0.491426  0.174588  0.502312  1
  Cu  Cu90  1  0.716514  0.135239  0.523218  1
  Cu  Cu91  1  0.153082  0.882367  0.524844  1
  Cu  Cu92  1  0.540658  0.901867  0.514390  1
  Cu  Cu93  1  0.928120  0.921566  0.503944  1
  Cu  Cu94  1  0.153082  0.382367  0.524844  1
  Cu  Cu95  1  0.540658  0.401867  0.514390  1
  Cu  Cu96  1  0.928120  0.421566  0.503944  1
  Cu  Cu97  1  0.941432  0.596147  0.544161  1
  Cu  Cu98  1  0.328876  0.615780  0.533669  1
  Cu  Cu99  1  0.553952  0.576452  0.554532  1
  Cu  Cu100  1  0.941432  0.096147  0.544161  1
  Cu  Cu101  1  0.328876  0.115780  0.533669  1
  Cu  Cu102  1  0.553952  0.076452  0.554532  1
  Cu  Cu103  1  0.990635  0.823539  0.556210  1
  Cu  Cu104  1  0.378071  0.843114  0.545741  1
  Cu  Cu105  1  0.765704  0.862570  0.535321  1
  Cu  Cu106  1  0.990635  0.323539  0.556210  1
  Cu  Cu107  1  0.378071  0.343114  0.545741  1
  Cu  Cu108  1  0.765704  0.362570  0.535321  1
  Cu  Cu109  1  0.779199  0.536928  0.575494  1
  Cu  Cu110  1  0.166332  0.556894  0.565029  1
  Cu  Cu111  1  0.391412  0.517760  0.585919  1
  Cu  Cu112  1  0.779199  0.036928  0.575494  1
  Cu  Cu113  1  0.166332  0.056894  0.565029  1
  Cu  Cu114  1  0.391412  0.017760  0.585919  1
  Cu  Cu115  1  0.828237  0.764425  0.587647  1
  Cu  Cu116  1  0.215500  0.784253  0.577102  1
  Cu  Cu117  1  0.603237  0.803570  0.566613  1
  Cu  Cu118  1  0.828237  0.264425  0.587647  1
  Cu  Cu119  1  0.215500  0.284253  0.577102  1
  Cu  Cu120  1  0.603237  0.303570  0.566613  1
  Cu  Cu121  1  0.616571  0.478002  0.606661  1
  Cu  Cu122  1  0.003725  0.498333  0.596522  1
  Cu  Cu123  1  0.229046  0.458523  0.617213  1
  Cu  Cu124  1  0.616571  0.978002  0.606661  1
  Cu  Cu125  1  0.003725  0.998333  0.596522  1
  Cu  Cu126  1  0.229046  0.958523  0.617213  1
  Cu  Cu127  1  0.665976  0.704812  0.618820  1
  Cu  Cu128  1  0.052923  0.725684  0.608420  1
  Cu  Cu129  1  0.440555  0.745147  0.597956  1
  Cu  Cu130  1  0.665976  0.204812  0.618820  1
  Cu  Cu131  1  0.052923  0.225684  0.608420  1
  Cu  Cu132  1  0.440555  0.245147  0.597956  1
  Cu  Cu133  1  0.453689  0.420065  0.638227  1
  Cu  Cu134  1  0.841933  0.438460  0.627934  1
  Cu  Cu135  1  0.066151  0.400546  0.648743  1
  Cu  Cu136  1  0.453689  0.920065  0.638227  1
  Cu  Cu137  1  0.841933  0.938460  0.627934  1
  Cu  Cu138  1  0.066151  0.900546  0.648743  1
  Cu  Cu139  1  0.503841  0.646904  0.649837  1
  Cu  Cu140  1  0.890228  0.666842  0.640136  1
  Cu  Cu141  1  0.278055  0.685957  0.629394  1
  Cu  Cu142  1  0.503841  0.146904  0.649837  1
  Cu  Cu143  1  0.890228  0.166842  0.640136  1
  Cu  Cu144  1  0.278055  0.185957  0.629394  1
  Cu  Cu145  1  0.292048  0.360008  0.669018  1
  Cu  Cu146  1  0.677830  0.378956  0.658438  1
  Cu  Cu147  1  0.903760  0.341524  0.680387  1
  Cu  Cu148  1  0.292048  0.860008  0.669018  1
  Cu  Cu149  1  0.677830  0.878956  0.658438  1
  Cu  Cu150  1  0.903760  0.841524  0.680387  1
  Cu  Cu151  1  0.342196  0.589855  0.681503  1
  Cu  Cu152  1  0.728407  0.605141  0.670896  1
  Cu  Cu153  1  0.115293  0.627776  0.660107  1
  Cu  Cu154  1  0.342196  0.089855  0.681503  1
  Cu  Cu155  1  0.728407  0.105141  0.670896  1
  Cu  Cu156  1  0.115293  0.127776  0.660107  1
  Cu  Cu157  1  0.129861  0.300444  0.699754  1
  Cu  Cu158  1  0.513063  0.322273  0.690197  1
  Cu  Cu159  1  0.739969  0.281110  0.708684  1
  Cu  Cu160  1  0.129861  0.800444  0.699754  1
  Cu  Cu161  1  0.513063  0.822273  0.690197  1
  Cu  Cu162  1  0.739969  0.781110  0.708684  1
  Cu  Cu163  1  0.178098  0.527402  0.710185  1
  Cu  Cu164  1  0.567737  0.548028  0.700993  1
  Cu  Cu165  1  0.952972  0.568882  0.691759  1
  Cu  Cu166  1  0.178098  0.027402  0.710185  1
  Cu  Cu167  1  0.567737  0.048028  0.700993  1
  Cu  Cu168  1  0.952972  0.068882  0.691759  1
