# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.81951318
_cell_length_b   4.67660489
_cell_length_c   47.49870573
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.68888297
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu78
_cell_volume   1825.14011851
_cell_formula_units_Z   78
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  0.835221  0.927923  0.276887  1
  Cu  Cu2  1  0.108451  0.876466  0.286339  1
  Cu  Cu3  1  0.385033  0.823575  0.297044  1
  Cu  Cu4  1  0.894646  0.386858  0.284364  1
  Cu  Cu5  1  0.171840  0.337052  0.294384  1
  Cu  Cu6  1  0.454018  0.280477  0.304807  1
  Cu  Cu7  1  0.663358  0.765716  0.307435  1
  Cu  Cu8  1  0.946208  0.711386  0.320285  1
  Cu  Cu9  1  0.226155  0.656698  0.330932  1
  Cu  Cu10  1  0.730894  0.225757  0.317349  1
  Cu  Cu11  1  0.012288  0.167277  0.328749  1
  Cu  Cu12  1  0.291594  0.115860  0.339586  1
  Cu  Cu13  1  0.503069  0.603861  0.342182  1
  Cu  Cu14  1  0.782571  0.550416  0.353516  1
  Cu  Cu15  1  0.063751  0.493167  0.365404  1
  Cu  Cu16  1  0.570108  0.059650  0.350964  1
  Cu  Cu17  1  0.849939  0.006096  0.363139  1
  Cu  Cu18  1  0.130910  0.949458  0.374521  1
  Cu  Cu19  1  0.343232  0.438225  0.376751  1
  Cu  Cu20  1  0.622059  0.384719  0.388135  1
  Cu  Cu21  1  0.901865  0.330795  0.399760  1
  Cu  Cu22  1  0.410096  0.895588  0.385889  1
  Cu  Cu23  1  0.689443  0.840923  0.397450  1
  Cu  Cu24  1  0.969627  0.786278  0.409153  1
  Cu  Cu25  1  0.181948  0.275138  0.411392  1
  Cu  Cu26  1  0.461624  0.220462  0.422862  1
  Cu  Cu27  1  0.741178  0.166236  0.434333  1
  Cu  Cu28  1  0.249597  0.731055  0.420640  1
  Cu  Cu29  1  0.529210  0.676532  0.432118  1
  Cu  Cu30  1  0.808867  0.622136  0.443687  1
  Cu  Cu31  1  0.020976  0.111648  0.445925  1
  Cu  Cu32  1  0.300894  0.056606  0.457479  1
  Cu  Cu33  1  0.580631  1.002024  0.468994  1
  Cu  Cu34  1  0.088786  0.567320  0.455273  1
  Cu  Cu35  1  0.368631  0.512476  0.466794  1
  Cu  Cu36  1  0.648346  0.457919  0.478308  1
  Cu  Cu37  1  0.860306  0.947583  0.480518  1
  Cu  Cu38  1  0.140138  0.892849  0.492066  1
  Cu  Cu39  1  0.420020  0.837995  0.503614  1
  Cu  Cu40  1  0.928068  0.403388  0.489858  1
  Cu  Cu41  1  0.207950  0.348534  0.501406  1
  Cu  Cu42  1  0.487782  0.293800  0.512953  1
  Cu  Cu43  1  0.699741  0.783464  0.515164  1
  Cu  Cu44  1  0.979457  0.728906  0.526678  1
  Cu  Cu45  1  0.259301  0.674062  0.538199  1
  Cu  Cu46  1  0.767457  0.239358  0.524478  1
  Cu  Cu47  1  0.047194  0.184776  0.535993  1
  Cu  Cu48  1  0.327111  0.129735  0.547546  1
  Cu  Cu49  1  0.539220  0.619246  0.549784  1
  Cu  Cu50  1  0.818878  0.564850  0.561354  1
  Cu  Cu51  1  0.098491  0.510327  0.572832  1
  Cu  Cu52  1  0.606909  0.075146  0.559139  1
  Cu  Cu53  1  0.886463  0.020920  0.570610  1
  Cu  Cu54  1  0.166140  0.966244  0.582080  1
  Cu  Cu55  1  0.378460  0.455105  0.584319  1
  Cu  Cu56  1  0.658644  0.400459  0.596022  1
  Cu  Cu57  1  0.937991  0.345795  0.607583  1
  Cu  Cu58  1  0.446223  0.910587  0.593712  1
  Cu  Cu59  1  0.726028  0.856663  0.605337  1
  Cu  Cu60  1  0.004856  0.803158  0.616721  1
  Cu  Cu61  1  0.217178  0.291925  0.618951  1
  Cu  Cu62  1  0.498149  0.235286  0.630333  1
  Cu  Cu63  1  0.777979  0.181732  0.642507  1
  Cu  Cu64  1  0.284336  0.748215  0.628068  1
  Cu  Cu65  1  0.565516  0.690967  0.639956  1
  Cu  Cu66  1  0.845019  0.637522  0.651290  1
  Cu  Cu67  1  0.056494  0.125523  0.653886  1
  Cu  Cu68  1  0.335799  0.074105  0.664723  1
  Cu  Cu69  1  0.617193  0.015625  0.676122  1
  Cu  Cu70  1  0.121933  0.584684  0.662540  1
  Cu  Cu71  1  0.401880  0.529996  0.673187  1
  Cu  Cu72  1  0.684730  0.475667  0.686036  1
  Cu  Cu73  1  0.894069  0.960906  0.688664  1
  Cu  Cu74  1  0.176247  0.904330  0.699087  1
  Cu  Cu75  1  0.453441  0.854524  0.709107  1
  Cu  Cu76  1  0.963054  0.417807  0.696428  1
  Cu  Cu77  1  0.239637  0.364917  0.707132  1
  Cu  Cu78  1  0.512867  0.313459  0.716585  1
