# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29543319
_cell_length_b   11.04551413
_cell_length_c   47.44996349
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu168
_cell_volume   4347.71320515
_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  1.002024  0.633808  0.295894  1
  Cu  Cu2  1  0.002837  0.419690  0.276601  1
  Cu  Cu3  1  1.002510  0.028869  0.286045  1
  Cu  Cu4  1  0.752522  0.373953  0.303165  1
  Cu  Cu5  1  0.752522  0.164189  0.282538  1
  Cu  Cu6  1  0.752522  0.769112  0.292618  1
  Cu  Cu7  1  0.503020  0.633808  0.295894  1
  Cu  Cu8  1  0.502207  0.419690  0.276601  1
  Cu  Cu9  1  0.502534  0.028869  0.286045  1
  Cu  Cu10  1  0.252522  0.500704  0.299536  1
  Cu  Cu11  1  0.252522  0.287781  0.279331  1
  Cu  Cu12  1  0.252522  0.894020  0.289579  1
  Cu  Cu13  1  0.003444  0.449853  0.328507  1
  Cu  Cu14  1  1.002421  0.237679  0.307179  1
  Cu  Cu15  1  1.002425  0.844104  0.317177  1
  Cu  Cu16  1  0.752522  0.188215  0.335294  1
  Cu  Cu17  1  0.752522  0.978709  0.313552  1
  Cu  Cu18  1  0.752522  0.583020  0.323389  1
  Cu  Cu19  1  0.501600  0.449853  0.328507  1
  Cu  Cu20  1  0.502623  0.237679  0.307179  1
  Cu  Cu21  1  0.502619  0.844104  0.317177  1
  Cu  Cu22  1  0.252522  0.316704  0.331727  1
  Cu  Cu23  1  0.252522  0.103863  0.310387  1
  Cu  Cu24  1  0.252522  0.709719  0.320754  1
  Cu  Cu25  1  0.002574  0.265170  0.360409  1
  Cu  Cu26  1  1.002420  0.054006  0.338924  1
  Cu  Cu27  1  1.001970  0.660116  0.349215  1
  Cu  Cu28  1  0.752522  1.003449  0.367279  1
  Cu  Cu29  1  0.752522  0.793254  0.345563  1
  Cu  Cu30  1  0.752522  0.398935  0.356482  1
  Cu  Cu31  1  0.502470  0.265170  0.360409  1
  Cu  Cu32  1  0.502624  0.054006  0.338924  1
  Cu  Cu33  1  0.503074  0.660116  0.349215  1
  Cu  Cu34  1  0.252522  0.131889  0.363859  1
  Cu  Cu35  1  0.252522  0.920663  0.342404  1
  Cu  Cu36  1  0.252522  0.527176  0.353202  1
  Cu  Cu37  1  0.002536  0.080808  0.392610  1
  Cu  Cu38  1  1.002429  0.870033  0.370895  1
  Cu  Cu39  1  0.002574  0.476064  0.381917  1
  Cu  Cu40  1  0.752522  0.819423  0.399525  1
  Cu  Cu41  1  0.752522  0.609099  0.377675  1
  Cu  Cu42  1  0.752522  0.214319  0.388951  1
  Cu  Cu43  1  0.502508  0.080808  0.392610  1
  Cu  Cu44  1  0.502615  0.870033  0.370895  1
  Cu  Cu45  1  0.502470  0.476064  0.381917  1
  Cu  Cu46  1  0.252522  0.947503  0.396202  1
  Cu  Cu47  1  0.252522  0.736899  0.374550  1
  Cu  Cu48  1  0.252522  0.342680  0.385537  1
  Cu  Cu49  1  1.002507  0.896684  0.424850  1
  Cu  Cu50  1  1.002452  0.686277  0.403239  1
  Cu  Cu51  1  0.002552  0.291615  0.414197  1
  Cu  Cu52  1  0.752522  0.635431  0.431824  1
  Cu  Cu53  1  0.752522  0.425064  0.410376  1
  Cu  Cu54  1  0.752522  0.030013  0.421191  1
  Cu  Cu55  1  0.502537  0.896684  0.424850  1
  Cu  Cu56  1  0.502592  0.686277  0.403239  1
  Cu  Cu57  1  0.502492  0.291615  0.414197  1
  Cu  Cu58  1  0.252522  0.763470  0.428571  1
  Cu  Cu59  1  0.252522  0.553150  0.407122  1
  Cu  Cu60  1  0.252522  0.158219  0.417805  1
  Cu  Cu61  1  1.002507  0.712655  0.457210  1
  Cu  Cu62  1  0.002529  0.502217  0.435734  1
  Cu  Cu63  1  0.002534  0.107324  0.446463  1
  Cu  Cu64  1  0.752522  0.451360  0.464297  1
  Cu  Cu65  1  0.752522  0.240744  0.442777  1
  Cu  Cu66  1  0.752522  0.845892  0.453468  1
  Cu  Cu67  1  0.502536  0.712655  0.457210  1
  Cu  Cu68  1  0.502515  0.502217  0.435734  1
  Cu  Cu69  1  0.502510  0.107324  0.446463  1
  Cu  Cu70  1  0.252522  0.579418  0.461005  1
  Cu  Cu71  1  0.252522  0.368852  0.439431  1
  Cu  Cu72  1  0.252522  0.973976  0.450140  1
  Cu  Cu73  1  0.002523  0.528566  0.489616  1
  Cu  Cu74  1  0.002530  0.317973  0.468052  1
  Cu  Cu75  1  0.002528  0.923143  0.478771  1
  Cu  Cu76  1  0.752522  0.267149  0.496649  1
  Cu  Cu77  1  0.752522  0.056494  0.475067  1
  Cu  Cu78  1  0.752522  0.661837  0.485820  1
  Cu  Cu79  1  0.502521  0.528566  0.489616  1
  Cu  Cu80  1  0.502514  0.317973  0.468052  1
  Cu  Cu81  1  0.502516  0.923143  0.478771  1
  Cu  Cu82  1  0.252522  0.395195  0.493314  1
  Cu  Cu83  1  0.252522  0.184571  0.471722  1
  Cu  Cu84  1  0.252522  0.789866  0.482533  1
  Cu  Cu85  1  0.002532  0.344374  0.521931  1
  Cu  Cu86  1  0.002536  0.133733  0.500343  1
  Cu  Cu87  1  0.002523  0.739053  0.511165  1
  Cu  Cu88  1  0.752522  0.082909  0.528935  1
  Cu  Cu89  1  0.752522  0.872314  0.507371  1
  Cu  Cu90  1  0.752522  0.477760  0.518220  1
  Cu  Cu91  1  0.502512  0.344374  0.521931  1
  Cu  Cu92  1  0.502508  0.133733  0.500343  1
  Cu  Cu93  1  0.502521  0.739053  0.511165  1
  Cu  Cu94  1  0.252522  0.210948  0.525619  1
  Cu  Cu95  1  0.252522  1.000354  0.504073  1
  Cu  Cu96  1  0.252522  0.605761  0.514906  1
  Cu  Cu97  1  0.002551  0.160121  0.554215  1
  Cu  Cu98  1  0.002543  0.949522  0.532681  1
  Cu  Cu99  1  0.002529  0.554960  0.543531  1
  Cu  Cu100  1  0.752522  0.898664  0.561234  1
  Cu  Cu101  1  0.752522  0.688236  0.539776  1
  Cu  Cu102  1  0.752522  0.293587  0.550529  1
  Cu  Cu103  1  0.502492  0.160121  0.554215  1
  Cu  Cu104  1  0.502501  0.949522  0.532681  1
  Cu  Cu105  1  0.502515  0.554960  0.543531  1
  Cu  Cu106  1  0.252522  0.026683  0.557993  1
  Cu  Cu107  1  0.252522  0.816220  0.536498  1
  Cu  Cu108  1  0.252522  0.421567  0.547198  1
  Cu  Cu109  1  0.002581  0.975846  0.586574  1
  Cu  Cu110  1  1.002521  0.765444  0.565141  1
  Cu  Cu111  1  0.002548  0.370765  0.575824  1
  Cu  Cu112  1  0.752522  0.714586  0.593742  1
  Cu  Cu113  1  0.752522  0.504195  0.572157  1
  Cu  Cu114  1  0.752522  0.109335  0.582776  1
  Cu  Cu115  1  0.502463  0.975846  0.586574  1
  Cu  Cu116  1  0.502523  0.765444  0.565141  1
  Cu  Cu117  1  0.502496  0.370765  0.575824  1
  Cu  Cu118  1  0.252522  0.842521  0.590505  1
  Cu  Cu119  1  0.252522  0.632143  0.568827  1
  Cu  Cu120  1  0.252522  0.237282  0.579501  1
  Cu  Cu121  1  1.002516  0.791964  0.619201  1
  Cu  Cu122  1  0.002535  0.581375  0.597466  1
  Cu  Cu123  1  0.002599  0.186390  0.608072  1
  Cu  Cu124  1  0.752522  0.530575  0.626152  1
  Cu  Cu125  1  0.752522  0.320039  0.604401  1
  Cu  Cu126  1  0.752522  0.925023  0.614989  1
  Cu  Cu127  1  0.502528  0.791964  0.619201  1
  Cu  Cu128  1  0.502509  0.581375  0.597466  1
  Cu  Cu129  1  0.502445  0.186390  0.608072  1
  Cu  Cu130  1  0.252522  0.658685  0.622788  1
  Cu  Cu131  1  0.252522  0.447991  0.601065  1
  Cu  Cu132  1  0.252522  0.052800  0.611892  1
  Cu  Cu133  1  0.002635  0.608026  0.651283  1
  Cu  Cu134  1  0.002561  0.397060  0.629748  1
  Cu  Cu135  1  0.002969  1.001960  0.640479  1
  Cu  Cu136  1  0.752522  0.346335  0.658197  1
  Cu  Cu137  1  0.752522  0.135865  0.636589  1
  Cu  Cu138  1  0.752522  0.741017  0.647672  1
  Cu  Cu139  1  0.502409  0.608026  0.651283  1
  Cu  Cu140  1  0.502483  0.397060  0.629748  1
  Cu  Cu141  1  0.502075  1.001960  0.640479  1
  Cu  Cu142  1  0.252522  0.474686  0.654780  1
  Cu  Cu143  1  0.252522  0.263657  0.633347  1
  Cu  Cu144  1  0.252522  0.868325  0.644639  1
  Cu  Cu145  1  1.002396  0.423712  0.683222  1
  Cu  Cu146  1  0.002802  0.212079  0.661821  1
  Cu  Cu147  1  1.001708  0.818389  0.673205  1
  Cu  Cu148  1  0.752522  0.163082  0.690044  1
  Cu  Cu149  1  0.752522  0.951864  0.668195  1
  Cu  Cu150  1  0.752522  0.557995  0.679772  1
  Cu  Cu151  1  0.502648  0.423712  0.683222  1
  Cu  Cu152  1  0.502242  0.212079  0.661821  1
  Cu  Cu153  1  0.503335  0.818389  0.673205  1
  Cu  Cu154  1  0.252522  0.290404  0.686664  1
  Cu  Cu155  1  0.252522  0.078607  0.665541  1
  Cu  Cu156  1  0.252522  0.683694  0.676610  1
  Cu  Cu157  1  1.001421  0.239277  0.714299  1
  Cu  Cu158  1  0.003653  0.027288  0.694034  1
  Cu  Cu159  1  1.002425  0.633350  0.704181  1
  Cu  Cu160  1  0.752522  0.978966  0.719982  1
  Cu  Cu161  1  0.752522  0.768095  0.700902  1
  Cu  Cu162  1  0.752522  0.373956  0.710917  1
  Cu  Cu163  1  0.503623  0.239277  0.714299  1
  Cu  Cu164  1  0.501391  0.027288  0.694034  1
  Cu  Cu165  1  0.502619  0.633350  0.704181  1
  Cu  Cu166  1  0.252522  0.109127  0.717529  1
  Cu  Cu167  1  0.252522  0.893059  0.698123  1
  Cu  Cu168  1  0.252522  0.498741  0.707694  1
