# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71078906
_cell_length_b   8.64153949
_cell_length_c   48.34107678
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.18198842
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu108
_cell_volume   2799.05184174
_cell_formula_units_Z   108
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  0.402278  0.994359  0.297520  1
  Cu  Cu2  1  0.752317  0.972501  0.316729  1
  Cu  Cu3  1  0.032707  0.033291  0.283853  1
  Cu  Cu4  1  0.639779  0.235778  0.303878  1
  Cu  Cu5  1  0.989136  0.211989  0.322744  1
  Cu  Cu6  1  0.277805  0.266436  0.289099  1
  Cu  Cu7  1  0.373139  0.547120  0.276515  1
  Cu  Cu8  1  0.727635  0.511444  0.290523  1
  Cu  Cu9  1  0.075735  0.483553  0.306773  1
  Cu  Cu10  1  0.519681  0.732200  0.309948  1
  Cu  Cu11  1  0.798763  0.792110  0.277667  1
  Cu  Cu12  1  0.159817  0.760898  0.291448  1
  Cu  Cu13  1  0.462901  0.915619  0.349093  1
  Cu  Cu14  1  0.819745  0.888196  0.365791  1
  Cu  Cu15  1  0.111417  0.942518  0.332158  1
  Cu  Cu16  1  0.697298  0.155526  0.355700  1
  Cu  Cu17  1  0.054106  0.126017  0.372187  1
  Cu  Cu18  1  0.345895  0.180044  0.338406  1
  Cu  Cu19  1  0.435253  0.454329  0.324539  1
  Cu  Cu20  1  0.787317  0.429335  0.340712  1
  Cu  Cu21  1  0.143814  0.401057  0.357160  1
  Cu  Cu22  1  0.586786  0.648801  0.359034  1
  Cu  Cu23  1  0.877030  0.704564  0.326035  1
  Cu  Cu24  1  0.230707  0.675135  0.341842  1
  Cu  Cu25  1  0.530043  0.832071  0.399078  1
  Cu  Cu26  1  0.885381  0.804163  0.415719  1
  Cu  Cu27  1  0.174777  0.859066  0.382229  1
  Cu  Cu28  1  0.763562  0.070912  0.405764  1
  Cu  Cu29  1  0.118588  0.042738  0.422411  1
  Cu  Cu30  1  0.408053  0.098333  0.389017  1
  Cu  Cu31  1  0.497614  0.372818  0.374077  1
  Cu  Cu32  1  0.853599  0.345568  0.390600  1
  Cu  Cu33  1  0.207935  0.317756  0.407322  1
  Cu  Cu34  1  0.652654  0.565289  0.408920  1
  Cu  Cu35  1  0.942507  0.620668  0.375583  1
  Cu  Cu36  1  0.297308  0.593009  0.392147  1
  Cu  Cu37  1  0.595798  0.748689  0.449094  1
  Cu  Cu38  1  0.951040  0.720947  0.465766  1
  Cu  Cu39  1  0.240562  0.776355  0.432365  1
  Cu  Cu40  1  0.828944  0.987408  0.455867  1
  Cu  Cu41  1  0.184077  0.959634  0.472551  1
  Cu  Cu42  1  0.473711  0.015161  0.439178  1
  Cu  Cu43  1  0.563326  0.290103  0.424033  1
  Cu  Cu44  1  0.918410  0.262464  0.440722  1
  Cu  Cu45  1  0.273473  0.234709  0.457400  1
  Cu  Cu46  1  0.718099  0.482202  0.458956  1
  Cu  Cu47  1  0.007815  0.537599  0.425587  1
  Cu  Cu48  1  0.362907  0.509890  0.442239  1
  Cu  Cu49  1  0.661460  0.665504  0.499142  1
  Cu  Cu50  1  0.016666  0.637787  0.515827  1
  Cu  Cu51  1  0.306226  0.693220  0.482437  1
  Cu  Cu52  1  0.894480  0.904200  0.505959  1
  Cu  Cu53  1  0.249642  0.876483  0.522639  1
  Cu  Cu54  1  0.539293  0.931922  0.489271  1
  Cu  Cu55  1  0.628695  0.207026  0.474112  1
  Cu  Cu56  1  0.983859  0.179308  0.490805  1
  Cu  Cu57  1  0.338996  0.151584  0.507487  1
  Cu  Cu58  1  0.783641  0.399040  0.509020  1
  Cu  Cu59  1  0.073289  0.454475  0.475641  1
  Cu  Cu60  1  0.428423  0.426758  0.492313  1
  Cu  Cu61  1  0.727153  0.582362  0.549196  1
  Cu  Cu62  1  0.082324  0.554675  0.565889  1
  Cu  Cu63  1  0.371866  0.610074  0.532486  1
  Cu  Cu64  1  0.960045  0.821079  0.556043  1
  Cu  Cu65  1  0.315215  0.793405  0.572694  1
  Cu  Cu66  1  0.604902  0.848757  0.539355  1
  Cu  Cu67  1  0.694222  0.123860  0.524204  1
  Cu  Cu68  1  0.049356  0.096164  0.540898  1
  Cu  Cu69  1  0.404468  0.068414  0.557576  1
  Cu  Cu70  1  0.849192  0.315872  0.559109  1
  Cu  Cu71  1  0.138802  0.371318  0.525718  1
  Cu  Cu72  1  0.493968  0.343559  0.542380  1
  Cu  Cu73  1  0.792933  0.499294  0.599256  1
  Cu  Cu74  1  0.148102  0.471622  0.615948  1
  Cu  Cu75  1  0.437586  0.526896  0.582486  1
  Cu  Cu76  1  0.025641  0.737993  0.606127  1
  Cu  Cu77  1  0.381086  0.710364  0.622637  1
  Cu  Cu78  1  0.670618  0.765700  0.589449  1
  Cu  Cu79  1  0.759705  0.040716  0.574323  1
  Cu  Cu80  1  0.114750  0.013051  0.591008  1
  Cu  Cu81  1  0.469540  0.985363  0.607700  1
  Cu  Cu82  1  0.914596  0.232891  0.609257  1
  Cu  Cu83  1  0.204268  0.288127  0.575821  1
  Cu  Cu84  1  0.559413  0.260178  0.592441  1
  Cu  Cu85  1  0.859693  0.417168  0.649372  1
  Cu  Cu86  1  0.212315  0.388182  0.665921  1
  Cu  Cu87  1  0.503287  0.443096  0.632339  1
  Cu  Cu88  1  0.093109  0.655366  0.656107  1
  Cu  Cu89  1  0.446518  0.626512  0.672050  1
  Cu  Cu90  1  0.736765  0.682305  0.639575  1
  Cu  Cu91  1  0.825437  0.957555  0.624454  1
  Cu  Cu92  1  0.179321  0.929462  0.641174  1
  Cu  Cu93  1  0.535158  0.901661  0.657593  1
  Cu  Cu94  1  0.976895  0.151132  0.659528  1
  Cu  Cu95  1  0.269045  0.204750  0.625967  1
  Cu  Cu96  1  0.625656  0.175999  0.642475  1
  Cu  Cu97  1  0.920805  0.334903  0.700259  1
  Cu  Cu98  1  0.287881  0.296447  0.714073  1
  Cu  Cu99  1  0.570875  0.359814  0.681357  1
  Cu  Cu100  1  0.159433  0.571434  0.706375  1
  Cu  Cu101  1  0.514978  0.537000  0.720027  1
  Cu  Cu102  1  0.807488  0.603096  0.689758  1
  Cu  Cu103  1  0.890252  0.875605  0.674385  1
  Cu  Cu104  1  0.246001  0.845740  0.692051  1
  Cu  Cu105  1  0.601262  0.818721  0.707098  1
  Cu  Cu106  1  0.043907  0.063754  0.708408  1
  Cu  Cu107  1  0.333609  0.118515  0.675317  1
  Cu  Cu108  1  0.681161  0.096597  0.693988  1
