# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38608688
_cell_length_b   16.77955989
_cell_length_c   46.11354261
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.54018931
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu128
_cell_volume   3364.45431074
_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  0.952637  0.946419  0.278966  1
  Cu  Cu2  1  0.194456  0.440726  0.291518  1
  Cu  Cu3  1  0.667635  0.067989  0.281592  1
  Cu  Cu4  1  0.913345  0.564849  0.294842  1
  Cu  Cu5  1  0.072153  0.192063  0.284861  1
  Cu  Cu6  1  0.318001  0.689036  0.298190  1
  Cu  Cu7  1  0.475439  0.316526  0.288097  1
  Cu  Cu8  1  0.726412  0.813326  0.300905  1
  Cu  Cu9  1  0.445032  0.936670  0.304634  1
  Cu  Cu10  1  0.691505  0.435082  0.318386  1
  Cu  Cu11  1  0.168078  0.062864  0.308574  1
  Cu  Cu12  1  0.411622  0.559344  0.321668  1
  Cu  Cu13  1  0.569292  0.186754  0.311699  1
  Cu  Cu14  1  0.815211  0.683523  0.325085  1
  Cu  Cu15  1  0.971633  0.310913  0.314889  1
  Cu  Cu16  1  0.219717  0.807971  0.328112  1
  Cu  Cu17  1  0.941057  0.932029  0.332696  1
  Cu  Cu18  1  0.188496  0.429314  0.346080  1
  Cu  Cu19  1  0.665127  0.055886  0.335861  1
  Cu  Cu20  1  0.911070  0.553564  0.349417  1
  Cu  Cu21  1  0.065037  0.180851  0.339404  1
  Cu  Cu22  1  0.311930  0.677822  0.352811  1
  Cu  Cu23  1  0.465899  0.305072  0.342653  1
  Cu  Cu24  1  0.714183  0.801809  0.356072  1
  Cu  Cu25  1  0.437660  0.925982  0.359946  1
  Cu  Cu26  1  0.685480  0.423526  0.373778  1
  Cu  Cu27  1  0.162310  0.050545  0.363670  1
  Cu  Cu28  1  0.408616  0.547798  0.377128  1
  Cu  Cu29  1  0.561962  0.174765  0.366980  1
  Cu  Cu30  1  0.809103  0.671982  0.380557  1
  Cu  Cu31  1  0.962078  0.299264  0.370345  1
  Cu  Cu32  1  0.210544  0.796160  0.383917  1
  Cu  Cu33  1  0.934288  0.920234  0.387897  1
  Cu  Cu34  1  0.182509  0.417664  0.401666  1
  Cu  Cu35  1  0.658732  0.044581  0.391417  1
  Cu  Cu36  1  0.905774  0.541935  0.405054  1
  Cu  Cu37  1  0.058652  0.169053  0.394890  1
  Cu  Cu38  1  0.306202  0.666173  0.408475  1
  Cu  Cu39  1  0.458958  0.293332  0.398233  1
  Cu  Cu40  1  0.707267  0.790291  0.411926  1
  Cu  Cu41  1  0.431028  0.914485  0.415640  1
  Cu  Cu42  1  0.679466  0.411813  0.429500  1
  Cu  Cu43  1  0.155349  0.038831  0.419265  1
  Cu  Cu44  1  0.402930  0.536107  0.432901  1
  Cu  Cu45  1  0.555519  0.163161  0.422674  1
  Cu  Cu46  1  0.803369  0.660341  0.436347  1
  Cu  Cu47  1  0.955818  0.287529  0.426077  1
  Cu  Cu48  1  0.204215  0.784553  0.439815  1
  Cu  Cu49  1  0.927909  0.908724  0.443521  1
  Cu  Cu50  1  0.176483  0.405980  0.457355  1
  Cu  Cu51  1  0.652032  0.033012  0.447074  1
  Cu  Cu52  1  0.900053  0.530266  0.460772  1
  Cu  Cu53  1  0.052373  0.157356  0.450530  1
  Cu  Cu54  1  0.300500  0.654532  0.464216  1
  Cu  Cu55  1  0.452750  0.281666  0.453925  1
  Cu  Cu56  1  0.701222  0.778742  0.467725  1
  Cu  Cu57  1  0.424893  0.902951  0.471355  1
  Cu  Cu58  1  0.673473  0.400140  0.485199  1
  Cu  Cu59  1  0.148817  0.027215  0.474925  1
  Cu  Cu60  1  0.397180  0.524439  0.488621  1
  Cu  Cu61  1  0.549286  0.151520  0.478358  1
  Cu  Cu62  1  0.797644  0.648715  0.492082  1
  Cu  Cu63  1  0.949700  0.275838  0.481773  1
  Cu  Cu64  1  0.198291  0.772959  0.495593  1
  Cu  Cu65  1  0.921914  0.897159  0.499232  1
  Cu  Cu66  1  0.170472  0.394304  0.513045  1
  Cu  Cu67  1  0.645642  0.021406  0.502769  1
  Cu  Cu68  1  0.894295  0.518613  0.516480  1
  Cu  Cu69  1  0.046209  0.145693  0.506211  1
  Cu  Cu70  1  0.294786  0.642902  0.519930  1
  Cu  Cu71  1  0.446668  0.269999  0.509622  1
  Cu  Cu72  1  0.695371  0.767166  0.523473  1
  Cu  Cu73  1  0.418971  0.891380  0.527095  1
  Cu  Cu74  1  0.667481  0.388475  0.540889  1
  Cu  Cu75  1  0.142464  0.015584  0.530635  1
  Cu  Cu76  1  0.391405  0.512779  0.544317  1
  Cu  Cu77  1  0.543136  0.139865  0.534054  1
  Cu  Cu78  1  0.791929  0.637106  0.547786  1
  Cu  Cu79  1  0.943636  0.264157  0.537468  1
  Cu  Cu80  1  0.192473  0.761388  0.551309  1
  Cu  Cu81  1  0.915988  0.885568  0.555001  1
  Cu  Cu82  1  0.164439  0.382621  0.568730  1
  Cu  Cu83  1  0.639280  0.009777  0.558506  1
  Cu  Cu84  1  0.888499  0.506972  0.572181  1
  Cu  Cu85  1  0.040071  0.134020  0.561916  1
  Cu  Cu86  1  0.289097  0.631281  0.575606  1
  Cu  Cu87  1  0.440623  0.258323  0.565327  1
  Cu  Cu88  1  0.689522  0.755629  0.579194  1
  Cu  Cu89  1  0.413035  0.879836  0.582877  1
  Cu  Cu90  1  0.661474  0.376804  0.596562  1
  Cu  Cu91  1  0.135956  0.003924  0.586389  1
  Cu  Cu92  1  0.385535  0.501090  0.599984  1
  Cu  Cu93  1  0.536963  0.128191  0.589754  1
  Cu  Cu94  1  0.786218  0.625538  0.603455  1
  Cu  Cu95  1  0.937615  0.252462  0.593164  1
  Cu  Cu96  1  0.186570  0.749863  0.606938  1
  Cu  Cu97  1  0.909877  0.873958  0.610885  1
  Cu  Cu98  1  0.158342  0.370924  0.624427  1
  Cu  Cu99  1  0.632652  0.998130  0.614316  1
  Cu  Cu100  1  0.882445  0.495354  0.627909  1
  Cu  Cu101  1  0.033869  0.122305  0.617659  1
  Cu  Cu102  1  0.283357  0.619546  0.631230  1
  Cu  Cu103  1  0.434633  0.246597  0.621069  1
  Cu  Cu104  1  0.683416  0.744144  0.634901  1
  Cu  Cu105  1  0.406952  0.868337  0.638684  1
  Cu  Cu106  1  0.655420  0.365028  0.652097  1
  Cu  Cu107  1  0.128789  0.992230  0.642101  1
  Cu  Cu108  1  0.379104  0.489324  0.655545  1
  Cu  Cu109  1  0.530750  0.116542  0.645355  1
  Cu  Cu110  1  0.780084  0.614211  0.658993  1
  Cu  Cu111  1  0.932235  0.240766  0.648768  1
  Cu  Cu112  1  0.181148  0.738115  0.662136  1
  Cu  Cu113  1  0.904064  0.862014  0.666681  1
  Cu  Cu114  1  0.152465  0.359168  0.679777  1
  Cu  Cu115  1  0.623790  0.986610  0.669834  1
  Cu  Cu116  1  0.872826  0.483363  0.683240  1
  Cu  Cu117  1  0.027886  0.110818  0.673062  1
  Cu  Cu118  1  0.276598  0.607446  0.686409  1
  Cu  Cu119  1  0.431830  0.234990  0.676521  1
  Cu  Cu120  1  0.677427  0.733043  0.690220  1
  Cu  Cu121  1  0.399703  0.857052  0.693776  1
  Cu  Cu122  1  0.649759  0.353600  0.706654  1
  Cu  Cu123  1  0.119507  0.981154  0.696753  1
  Cu  Cu124  1  0.367956  0.477496  0.710100  1
  Cu  Cu125  1  0.525099  0.105267  0.699928  1
  Cu  Cu126  1  0.770879  0.601403  0.713251  1
  Cu  Cu127  1  0.930108  0.229405  0.703342  1
  Cu  Cu128  1  0.169770  0.724617  0.715801  1
