# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.53400457
_cell_length_b   17.04835359
_cell_length_c   48.28227050
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.71810916
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu80
_cell_volume   2080.00135219
_cell_formula_units_Z   80
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  0.900350  0.143321  0.286712  1
  Cu  Cu2  1  0.653278  0.636677  0.307542  1
  Cu  Cu3  1  0.341356  0.260991  0.306381  1
  Cu  Cu4  1  0.586709  0.769947  0.284931  1
  Cu  Cu5  1  0.023729  0.895381  0.275666  1
  Cu  Cu6  1  0.776421  0.390620  0.297306  1
  Cu  Cu7  1  0.966599  0.010129  0.308287  1
  Cu  Cu8  1  0.212660  0.517981  0.288220  1
  Cu  Cu9  1  0.408256  0.127261  0.331046  1
  Cu  Cu10  1  0.162039  0.619226  0.353196  1
  Cu  Cu11  1  0.849460  0.244764  0.351645  1
  Cu  Cu12  1  0.095055  0.753211  0.329770  1
  Cu  Cu13  1  0.530930  0.881241  0.320090  1
  Cu  Cu14  1  0.285152  0.373210  0.341979  1
  Cu  Cu15  1  0.474820  0.993750  0.354637  1
  Cu  Cu16  1  0.720579  0.502211  0.332457  1
  Cu  Cu17  1  0.916450  0.110703  0.376438  1
  Cu  Cu18  1  0.670506  0.602365  0.398974  1
  Cu  Cu19  1  0.357771  0.228076  0.397322  1
  Cu  Cu20  1  0.603609  0.736140  0.375041  1
  Cu  Cu21  1  0.039146  0.864988  0.365465  1
  Cu  Cu22  1  0.793461  0.356578  0.387579  1
  Cu  Cu23  1  0.983208  0.977000  0.400566  1
  Cu  Cu24  1  0.229106  0.485179  0.377939  1
  Cu  Cu25  1  0.424717  0.094099  0.421898  1
  Cu  Cu26  1  0.178903  0.585615  0.444597  1
  Cu  Cu27  1  0.866107  0.211361  0.442926  1
  Cu  Cu28  1  0.111964  0.719489  0.420451  1
  Cu  Cu29  1  0.547598  0.848178  0.410801  1
  Cu  Cu30  1  0.301804  0.339882  0.433153  1
  Cu  Cu31  1  0.491626  0.960183  0.446219  1
  Cu  Cu32  1  0.737489  0.468427  0.423441  1
  Cu  Cu33  1  0.933067  0.077377  0.467398  1
  Cu  Cu34  1  0.687282  0.568881  0.490159  1
  Cu  Cu35  1  0.374476  0.194603  0.488501  1
  Cu  Cu36  1  0.620334  0.702795  0.465916  1
  Cu  Cu37  1  0.055993  0.831443  0.456212  1
  Cu  Cu38  1  0.810171  0.323144  0.478733  1
  Cu  Cu39  1  1.000027  0.943405  0.491761  1
  Cu  Cu40  1  0.245865  0.451684  0.468990  1
  Cu  Cu41  1  0.441444  0.060629  0.512919  1
  Cu  Cu42  1  0.195652  0.552148  0.535683  1
  Cu  Cu43  1  0.882861  0.177832  0.534059  1
  Cu  Cu44  1  0.128709  0.686078  0.511422  1
  Cu  Cu45  1  0.564387  0.814694  0.501672  1
  Cu  Cu46  1  0.318552  0.306383  0.524311  1
  Cu  Cu47  1  0.508426  0.926637  0.537242  1
  Cu  Cu48  1  0.754245  0.434927  0.514553  1
  Cu  Cu49  1  0.949845  0.043851  0.558460  1
  Cu  Cu50  1  0.704008  0.535423  0.581163  1
  Cu  Cu51  1  0.391271  0.161022  0.579599  1
  Cu  Cu52  1  0.637087  0.669347  0.556968  1
  Cu  Cu53  1  0.072792  0.797913  0.547177  1
  Cu  Cu54  1  0.826942  0.289606  0.569887  1
  Cu  Cu55  1  0.016834  0.909863  0.582662  1
  Cu  Cu56  1  0.262631  0.418149  0.560125  1
  Cu  Cu57  1  0.458284  0.027018  0.604046  1
  Cu  Cu58  1  0.212280  0.518833  0.626574  1
  Cu  Cu59  1  0.899718  0.144152  0.625102  1
  Cu  Cu60  1  0.145458  0.652623  0.602568  1
  Cu  Cu61  1  0.581228  0.781069  0.592753  1
  Cu  Cu62  1  0.335372  0.272749  0.615452  1
  Cu  Cu63  1  0.525255  0.893083  0.627989  1
  Cu  Cu64  1  0.771010  0.401373  0.605717  1
  Cu  Cu65  1  0.966774  0.010121  0.649782  1
  Cu  Cu66  1  0.721039  0.501215  0.671697  1
  Cu  Cu67  1  0.408339  0.126942  0.670602  1
  Cu  Cu68  1  0.653661  0.636233  0.648299  1
  Cu  Cu69  1  0.089755  0.764044  0.638502  1
  Cu  Cu70  1  0.843823  0.255848  0.661098  1
  Cu  Cu71  1  0.033787  0.876097  0.673099  1
  Cu  Cu72  1  0.279649  0.384056  0.651341  1
  Cu  Cu73  1  0.475728  0.992297  0.695509  1
  Cu  Cu74  1  0.227981  0.487073  0.716175  1
  Cu  Cu75  1  0.916235  0.111225  0.714812  1
  Cu  Cu76  1  0.163200  0.617216  0.693265  1
  Cu  Cu77  1  0.598163  0.747291  0.684393  1
  Cu  Cu78  1  0.352403  0.238744  0.705762  1
  Cu  Cu79  1  0.542018  0.859715  0.717455  1
  Cu  Cu80  1  0.787424  0.368480  0.696706  1
