# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42553131
_cell_length_b   16.96560282
_cell_length_c   46.20669219
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.51516141
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu128
_cell_volume   3439.48178387
_cell_formula_units_Z   128
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  0.065851  0.191113  0.287014  1
  Cu  Cu2  1  0.315117  0.688803  0.300533  1
  Cu  Cu3  1  0.796726  0.315624  0.290399  1
  Cu  Cu4  1  0.042708  0.813159  0.303514  1
  Cu  Cu5  1  0.939580  0.943468  0.281165  1
  Cu  Cu6  1  0.191110  0.440008  0.293775  1
  Cu  Cu7  1  0.335575  0.066612  0.283776  1
  Cu  Cu8  1  0.585381  0.564358  0.297240  1
  Cu  Cu9  1  0.563168  0.185920  0.313319  1
  Cu  Cu10  1  0.812593  0.683207  0.326888  1
  Cu  Cu11  1  0.291845  0.310217  0.316672  1
  Cu  Cu12  1  0.540670  0.808001  0.329963  1
  Cu  Cu13  1  0.437764  0.937037  0.306765  1
  Cu  Cu14  1  0.688454  0.434547  0.320089  1
  Cu  Cu15  1  0.833899  0.061644  0.310102  1
  Cu  Cu16  1  0.084934  0.558916  0.323521  1
  Cu  Cu17  1  0.060662  0.180271  0.340932  1
  Cu  Cu18  1  0.310849  0.677415  0.354506  1
  Cu  Cu19  1  0.788900  0.304537  0.344306  1
  Cu  Cu20  1  0.037052  0.801167  0.357975  1
  Cu  Cu21  1  0.936976  0.931751  0.334366  1
  Cu  Cu22  1  0.185656  0.428823  0.347692  1
  Cu  Cu23  1  0.331376  0.055736  0.337539  1
  Cu  Cu24  1  0.582401  0.553076  0.351154  1
  Cu  Cu25  1  0.557916  0.174423  0.368716  1
  Cu  Cu26  1  0.807746  0.671445  0.382407  1
  Cu  Cu27  1  0.284997  0.298758  0.372146  1
  Cu  Cu28  1  0.533576  0.795689  0.385831  1
  Cu  Cu29  1  0.433407  0.925562  0.361771  1
  Cu  Cu30  1  0.682868  0.423040  0.375538  1
  Cu  Cu31  1  0.830171  0.050121  0.365434  1
  Cu  Cu32  1  0.080946  0.547281  0.379000  1
  Cu  Cu33  1  0.055394  0.168674  0.396587  1
  Cu  Cu34  1  0.304783  0.665772  0.410275  1
  Cu  Cu35  1  0.781401  0.292953  0.400002  1
  Cu  Cu36  1  0.030198  0.789952  0.413793  1
  Cu  Cu37  1  0.931101  0.919884  0.389636  1
  Cu  Cu38  1  0.180075  0.417241  0.403412  1
  Cu  Cu39  1  0.328738  0.044236  0.393189  1
  Cu  Cu40  1  0.578898  0.541493  0.406877  1
  Cu  Cu41  1  0.552705  0.162838  0.424444  1
  Cu  Cu42  1  0.801852  0.659969  0.438205  1
  Cu  Cu43  1  0.278346  0.287163  0.427889  1
  Cu  Cu44  1  0.527144  0.784216  0.441703  1
  Cu  Cu45  1  0.428727  0.914198  0.417452  1
  Cu  Cu46  1  0.677306  0.411444  0.431311  1
  Cu  Cu47  1  0.826872  0.038539  0.421075  1
  Cu  Cu48  1  0.076393  0.535723  0.434766  1
  Cu  Cu49  1  0.050070  0.157074  0.452337  1
  Cu  Cu50  1  0.298980  0.654202  0.466099  1
  Cu  Cu51  1  0.775441  0.281361  0.455764  1
  Cu  Cu52  1  0.024195  0.778453  0.469609  1
  Cu  Cu53  1  0.926023  0.908457  0.445327  1
  Cu  Cu54  1  0.174512  0.405653  0.459203  1
  Cu  Cu55  1  0.324543  0.032750  0.448914  1
  Cu  Cu56  1  0.573661  0.529924  0.462657  1
  Cu  Cu57  1  0.547364  0.151276  0.480215  1
  Cu  Cu58  1  0.796099  0.648420  0.493998  1
  Cu  Cu59  1  0.272633  0.275571  0.483649  1
  Cu  Cu60  1  0.521325  0.772693  0.497499  1
  Cu  Cu61  1  0.423215  0.902704  0.473205  1
  Cu  Cu62  1  0.671730  0.399854  0.487096  1
  Cu  Cu63  1  0.822040  0.026978  0.476787  1
  Cu  Cu64  1  0.070840  0.524139  0.490539  1
  Cu  Cu65  1  0.044638  0.145487  0.508109  1
  Cu  Cu66  1  0.293230  0.642643  0.521883  1
  Cu  Cu67  1  0.769868  0.269776  0.511532  1
  Cu  Cu68  1  0.018512  0.766934  0.525381  1
  Cu  Cu69  1  0.920377  0.896944  0.501096  1
  Cu  Cu70  1  0.168944  0.394058  0.514984  1
  Cu  Cu71  1  0.319422  0.021203  0.504663  1
  Cu  Cu72  1  0.567970  0.518352  0.518427  1
  Cu  Cu73  1  0.541905  0.139698  0.536000  1
  Cu  Cu74  1  0.790383  0.636874  0.549771  1
  Cu  Cu75  1  0.267154  0.263979  0.539417  1
  Cu  Cu76  1  0.515784  0.761183  0.553246  1
  Cu  Cu77  1  0.417536  0.891184  0.528994  1
  Cu  Cu78  1  0.666157  0.388268  0.542878  1
  Cu  Cu79  1  0.816740  0.015421  0.532555  1
  Cu  Cu80  1  0.065052  0.512554  0.546299  1
  Cu  Cu81  1  0.039173  0.133897  0.563901  1
  Cu  Cu82  1  0.287518  0.631090  0.577622  1
  Cu  Cu83  1  0.764531  0.258186  0.567300  1
  Cu  Cu84  1  0.013270  0.755446  0.581112  1
  Cu  Cu85  1  0.914720  0.885418  0.556904  1
  Cu  Cu86  1  0.163387  0.382463  0.570760  1
  Cu  Cu87  1  0.314002  0.009648  0.560445  1
  Cu  Cu88  1  0.562071  0.506790  0.574187  1
  Cu  Cu89  1  0.536477  0.128119  0.591803  1
  Cu  Cu90  1  0.784659  0.625394  0.605528  1
  Cu  Cu91  1  0.262111  0.252390  0.595189  1
  Cu  Cu92  1  0.511166  0.749759  0.608910  1
  Cu  Cu93  1  0.411996  0.879676  0.584822  1
  Cu  Cu94  1  0.660601  0.376676  0.598657  1
  Cu  Cu95  1  0.811110  0.003837  0.588367  1
  Cu  Cu96  1  0.058894  0.500961  0.602044  1
  Cu  Cu97  1  0.033703  0.122305  0.619690  1
  Cu  Cu98  1  0.281544  0.619439  0.633270  1
  Cu  Cu99  1  0.760204  0.246583  0.623055  1
  Cu  Cu100  1  0.009912  0.744229  0.636788  1
  Cu  Cu101  1  0.909565  0.873940  0.612783  1
  Cu  Cu102  1  0.157868  0.370876  0.626516  1
  Cu  Cu103  1  0.307957  0.998141  0.616243  1
  Cu  Cu104  1  0.555458  0.495237  0.629927  1
  Cu  Cu105  1  0.531006  0.116425  0.647550  1
  Cu  Cu106  1  0.779548  0.613972  0.661188  1
  Cu  Cu107  1  0.258736  0.240793  0.650901  1
  Cu  Cu108  1  0.507630  0.737797  0.664178  1
  Cu  Cu109  1  0.407071  0.868320  0.640639  1
  Cu  Cu110  1  0.655097  0.365104  0.654351  1
  Cu  Cu111  1  0.804311  0.992237  0.644137  1
  Cu  Cu112  1  0.051430  0.489397  0.657741  1
  Cu  Cu113  1  0.028451  0.110714  0.675152  1
  Cu  Cu114  1  0.277089  0.607764  0.688587  1
  Cu  Cu115  1  0.756140  0.235056  0.678522  1
  Cu  Cu116  1  0.007461  0.732732  0.691802  1
  Cu  Cu117  1  0.903178  0.861790  0.668635  1
  Cu  Cu118  1  0.152420  0.359408  0.681948  1
  Cu  Cu119  1  0.300778  0.986275  0.671807  1
  Cu  Cu120  1  0.549039  0.483724  0.685393  1
  Cu  Cu121  1  0.525731  0.105341  0.701479  1
  Cu  Cu122  1  0.777687  0.603093  0.714935  1
  Cu  Cu123  1  0.255426  0.229619  0.704818  1
  Cu  Cu124  1  0.507469  0.725491  0.717343  1
  Cu  Cu125  1  0.402967  0.856191  0.695075  1
  Cu  Cu126  1  0.649715  0.353911  0.708269  1
  Cu  Cu127  1  0.795541  0.981023  0.698114  1
  Cu  Cu128  1  0.043830  0.478236  0.711657  1
