# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09590432
_cell_length_b   8.09276239
_cell_length_c   47.55403135
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu112
_cell_volume   3052.70693111
_cell_formula_units_Z   112
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  0.660828  0.661804  0.315479  1
  Cu  Cu2  1  0.160841  0.161822  0.315605  1
  Cu  Cu3  1  0.246625  0.740855  0.287096  1
  Cu  Cu4  1  0.739731  0.247746  0.287095  1
  Cu  Cu5  1  0.827461  0.828441  0.346986  1
  Cu  Cu6  1  0.492631  0.493754  0.286824  1
  Cu  Cu7  1  0.412776  0.911657  0.315778  1
  Cu  Cu8  1  0.910673  0.413774  0.315779  1
  Cu  Cu9  1  0.703595  0.954523  0.301225  1
  Cu  Cu10  1  0.202580  0.453360  0.301251  1
  Cu  Cu11  1  0.118813  0.872201  0.331262  1
  Cu  Cu12  1  0.620030  0.370652  0.332008  1
  Cu  Cu13  1  0.953484  0.704672  0.301226  1
  Cu  Cu14  1  0.452316  0.203627  0.301251  1
  Cu  Cu15  1  0.369656  0.621023  0.332008  1
  Cu  Cu16  1  0.871211  0.119795  0.331255  1
  Cu  Cu17  1  0.494669  0.495592  0.378468  1
  Cu  Cu18  1  0.994679  0.995611  0.378106  1
  Cu  Cu19  1  0.078111  0.579936  0.346781  1
  Cu  Cu20  1  0.578961  0.079091  0.346781  1
  Cu  Cu21  1  0.660647  0.661526  0.409588  1
  Cu  Cu22  1  0.327785  0.328762  0.346818  1
  Cu  Cu23  1  0.244259  0.746369  0.378289  1
  Cu  Cu24  1  0.745447  0.245183  0.378287  1
  Cu  Cu25  1  0.536906  0.787707  0.362391  1
  Cu  Cu26  1  0.036493  0.287463  0.362136  1
  Cu  Cu27  1  0.952473  0.703547  0.393895  1
  Cu  Cu28  1  0.452678  0.203214  0.393783  1
  Cu  Cu29  1  0.786761  0.537852  0.362391  1
  Cu  Cu30  1  0.286523  0.037442  0.362137  1
  Cu  Cu31  1  0.202309  0.453580  0.393782  1
  Cu  Cu32  1  0.702640  0.953377  0.393895  1
  Cu  Cu33  1  0.326331  0.327164  0.440884  1
  Cu  Cu34  1  0.826368  0.827201  0.441019  1
  Cu  Cu35  1  0.910680  0.411278  0.409516  1
  Cu  Cu36  1  0.410400  0.911560  0.409517  1
  Cu  Cu37  1  0.492257  0.493042  0.472383  1
  Cu  Cu38  1  0.160461  0.161342  0.409390  1
  Cu  Cu39  1  0.076329  0.577213  0.440955  1
  Cu  Cu40  1  0.576380  0.077162  0.440955  1
  Cu  Cu41  1  0.368310  0.619471  0.425345  1
  Cu  Cu42  1  0.868615  0.119140  0.425302  1
  Cu  Cu43  1  0.784418  0.535096  0.456696  1
  Cu  Cu44  1  0.284235  0.035217  0.456638  1
  Cu  Cu45  1  0.618618  0.369164  0.425345  1
  Cu  Cu46  1  0.118283  0.869472  0.425302  1
  Cu  Cu47  1  0.034407  0.285045  0.456638  1
  Cu  Cu48  1  0.534287  0.785227  0.456696  1
  Cu  Cu49  1  0.158159  0.158898  0.503790  1
  Cu  Cu50  1  0.658166  0.658905  0.503806  1
  Cu  Cu51  1  0.742365  0.242969  0.472398  1
  Cu  Cu52  1  0.242184  0.743151  0.472398  1
  Cu  Cu53  1  0.324007  0.324698  0.535156  1
  Cu  Cu54  1  0.992273  0.993059  0.472416  1
  Cu  Cu55  1  0.908256  0.408816  0.503798  1
  Cu  Cu56  1  0.408077  0.908994  0.503798  1
  Cu  Cu57  1  0.200207  0.450926  0.488037  1
  Cu  Cu58  1  0.700191  0.950991  0.488101  1
  Cu  Cu59  1  0.616138  0.366770  0.519458  1
  Cu  Cu60  1  0.116076  0.866872  0.519515  1
  Cu  Cu61  1  0.450164  0.200969  0.488038  1
  Cu  Cu62  1  0.950229  0.700953  0.488100  1
  Cu  Cu63  1  0.866157  0.116791  0.519515  1
  Cu  Cu64  1  0.366054  0.616854  0.519458  1
  Cu  Cu65  1  0.989955  0.990600  0.566637  1
  Cu  Cu66  1  0.489917  0.490562  0.566487  1
  Cu  Cu67  1  0.573972  0.074786  0.535184  1
  Cu  Cu68  1  0.074094  0.574663  0.535184  1
  Cu  Cu69  1  0.155943  0.156539  0.598144  1
  Cu  Cu70  1  0.824039  0.824731  0.535216  1
  Cu  Cu71  1  0.739972  0.240556  0.566564  1
  Cu  Cu72  1  0.239911  0.740618  0.566565  1
  Cu  Cu73  1  0.032084  0.282613  0.550945  1
  Cu  Cu74  1  0.531902  0.782755  0.550914  1
  Cu  Cu75  1  0.447684  0.198567  0.582317  1
  Cu  Cu76  1  0.947971  0.698299  0.582315  1
  Cu  Cu77  1  0.281945  0.032751  0.550945  1
  Cu  Cu78  1  0.782086  0.532571  0.550914  1
  Cu  Cu79  1  0.697677  0.948595  0.582316  1
  Cu  Cu80  1  0.197947  0.448305  0.582317  1
  Cu  Cu81  1  0.821460  0.822024  0.629365  1
  Cu  Cu82  1  0.321484  0.322038  0.629617  1
  Cu  Cu83  1  0.405623  0.906618  0.598099  1
  Cu  Cu84  1  0.906022  0.406218  0.598098  1
  Cu  Cu85  1  0.987370  0.987870  0.660675  1
  Cu  Cu86  1  0.655749  0.656347  0.597992  1
  Cu  Cu87  1  0.571012  0.072847  0.629495  1
  Cu  Cu88  1  0.072293  0.571566  0.629493  1
  Cu  Cu89  1  0.863752  0.114297  0.613683  1
  Cu  Cu90  1  0.363733  0.614108  0.613512  1
  Cu  Cu91  1  0.280094  0.030835  0.645351  1
  Cu  Cu92  1  0.779940  0.530173  0.645099  1
  Cu  Cu93  1  0.113719  0.864325  0.613683  1
  Cu  Cu94  1  0.613533  0.364304  0.613512  1
  Cu  Cu95  1  0.529653  0.780470  0.645101  1
  Cu  Cu96  1  0.030308  0.280621  0.645352  1
  Cu  Cu97  1  0.655015  0.655485  0.691202  1
  Cu  Cu98  1  0.154313  0.154777  0.691143  1
  Cu  Cu99  1  0.239118  0.738987  0.660294  1
  Cu  Cu100  1  0.738488  0.239614  0.660294  1
  Cu  Cu101  1  0.824249  0.824603  0.719658  1
  Cu  Cu102  1  0.488263  0.488761  0.660206  1
  Cu  Cu103  1  0.406383  0.905140  0.691395  1
  Cu  Cu104  1  0.904673  0.406877  0.691397  1
  Cu  Cu105  1  0.694787  0.949175  0.675965  1
  Cu  Cu106  1  0.197634  0.446437  0.676531  1
  Cu  Cu107  1  0.114499  0.864109  0.705879  1
  Cu  Cu108  1  0.614285  0.364946  0.705512  1
  Cu  Cu109  1  0.948660  0.695294  0.675957  1
  Cu  Cu110  1  0.445919  0.198148  0.676532  1
  Cu  Cu111  1  0.364556  0.614675  0.705512  1
  Cu  Cu112  1  0.863735  0.114921  0.705880  1
