# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09240701
_cell_length_b   8.01156861
_cell_length_c   48.30655507
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu72
_cell_volume   1869.683027
_cell_formula_units_Z   72
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  0.780198  0.564077  0.310778  1
  Cu  Cu2  1  0.563698  0.126011  0.286907  1
  Cu  Cu3  1  0.895692  0.285079  0.324922  1
  Cu  Cu4  1  0.675934  0.845208  0.297937  1
  Cu  Cu5  1  0.952908  0.399268  0.276882  1
  Cu  Cu6  1  0.172866  0.839062  0.297786  1
  Cu  Cu7  1  0.290346  0.564066  0.310753  1
  Cu  Cu8  1  0.068935  0.125836  0.286919  1
  Cu  Cu9  1  0.230540  0.454182  0.361089  1
  Cu  Cu10  1  0.007530  0.007022  0.335736  1
  Cu  Cu11  1  0.340265  0.175009  0.373115  1
  Cu  Cu12  1  0.117798  0.729616  0.347945  1
  Cu  Cu13  1  0.397527  0.288759  0.323199  1
  Cu  Cu14  1  0.619035  0.732158  0.348397  1
  Cu  Cu15  1  0.729431  0.454165  0.361096  1
  Cu  Cu16  1  0.505579  0.007064  0.335726  1
  Cu  Cu17  1  0.672373  0.340174  0.411067  1
  Cu  Cu18  1  0.449963  0.896109  0.385902  1
  Cu  Cu19  1  0.783211  0.061622  0.423684  1
  Cu  Cu20  1  0.562097  0.618987  0.398657  1
  Cu  Cu21  1  0.839383  0.173262  0.373751  1
  Cu  Cu22  1  0.061958  0.618682  0.398549  1
  Cu  Cu23  1  0.172785  0.340177  0.411063  1
  Cu  Cu24  1  0.951497  0.896088  0.385906  1
  Cu  Cu25  1  0.116077  0.227701  0.461243  1
  Cu  Cu26  1  0.894582  0.784147  0.436207  1
  Cu  Cu27  1  0.226976  0.949761  0.473800  1
  Cu  Cu28  1  0.005139  0.505792  0.448685  1
  Cu  Cu29  1  0.283533  0.062249  0.423502  1
  Cu  Cu30  1  0.505180  0.505881  0.448733  1
  Cu  Cu31  1  0.615956  0.227700  0.461245  1
  Cu  Cu32  1  0.394240  0.784161  0.436206  1
  Cu  Cu33  1  0.559449  0.115287  0.511447  1
  Cu  Cu34  1  0.337674  0.671456  0.486346  1
  Cu  Cu35  1  0.670349  0.837100  0.523950  1
  Cu  Cu36  1  0.448642  0.393391  0.498912  1
  Cu  Cu37  1  0.726920  0.949640  0.473842  1
  Cu  Cu38  1  0.948626  0.393349  0.498881  1
  Cu  Cu39  1  0.059594  0.115284  0.511446  1
  Cu  Cu40  1  0.837819  0.671453  0.486345  1
  Cu  Cu41  1  1.003028  1.002579  0.561587  1
  Cu  Cu42  1  0.781313  0.559040  0.536547  1
  Cu  Cu43  1  0.113736  0.724491  0.574290  1
  Cu  Cu44  1  0.892089  0.280859  0.549060  1
  Cu  Cu45  1  0.170292  0.836979  0.523992  1
  Cu  Cu46  1  0.392129  0.280948  0.549108  1
  Cu  Cu47  1  0.502686  1.002593  0.561585  1
  Cu  Cu48  1  0.281191  0.559039  0.536549  1
  Cu  Cu49  1  0.445771  0.890652  0.611886  1
  Cu  Cu50  1  0.224483  0.446563  0.586729  1
  Cu  Cu51  1  0.557885  0.613478  0.624042  1
  Cu  Cu52  1  0.335311  0.168058  0.599243  1
  Cu  Cu53  1  0.614057  0.725118  0.574109  1
  Cu  Cu54  1  0.835172  0.167753  0.599136  1
  Cu  Cu55  1  0.947305  0.890631  0.611890  1
  Cu  Cu56  1  0.724896  0.446566  0.586726  1
  Cu  Cu57  1  0.891689  0.779676  0.662066  1
  Cu  Cu58  1  0.667837  0.332575  0.636696  1
  Cu  Cu59  1  0.999741  0.497981  0.674593  1
  Cu  Cu60  1  0.778233  0.054582  0.649396  1
  Cu  Cu61  1  0.057003  0.611731  0.624677  1
  Cu  Cu62  1  0.279471  0.057124  0.649848  1
  Cu  Cu63  1  0.389738  0.779718  0.662057  1
  Cu  Cu64  1  0.166728  0.332558  0.636704  1
  Cu  Cu65  1  0.328333  0.660904  0.710873  1
  Cu  Cu66  1  0.106922  0.222674  0.687039  1
  Cu  Cu67  1  0.444360  0.387472  0.720911  1
  Cu  Cu68  1  0.224402  0.947678  0.700006  1
  Cu  Cu69  1  0.501576  0.501661  0.672870  1
  Cu  Cu70  1  0.721334  0.941532  0.699855  1
  Cu  Cu71  1  0.833570  0.660729  0.710886  1
  Cu  Cu72  1  0.617071  0.222663  0.687014  1
