# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.44664518
_cell_length_b   17.25744570
_cell_length_c   47.96866617
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.07655545
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu88
_cell_volume   2020.24933881
_cell_formula_units_Z   88
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  0.313763  0.180907  0.291790  1
  Cu  Cu2  1  0.573401  0.700051  0.273115  1
  Cu  Cu3  1  0.381936  0.317217  0.280685  1
  Cu  Cu4  1  0.121348  0.795762  0.299726  1
  Cu  Cu5  1  0.943592  0.440254  0.281692  1
  Cu  Cu6  1  0.683294  0.919477  0.301473  1
  Cu  Cu7  1  0.505617  0.564160  0.282779  1
  Cu  Cu8  1  0.245274  0.043384  0.302556  1
  Cu  Cu9  1  0.790599  0.134340  0.332507  1
  Cu  Cu10  1  0.051414  0.656007  0.312804  1
  Cu  Cu11  1  0.859347  0.272045  0.321242  1
  Cu  Cu12  1  0.598497  0.750122  0.341072  1
  Cu  Cu13  1  0.421036  0.395207  0.322568  1
  Cu  Cu14  1  0.160276  0.873544  0.342443  1
  Cu  Cu15  1  0.982709  0.518408  0.323799  1
  Cu  Cu16  1  0.721960  0.996835  0.343700  1
  Cu  Cu17  1  0.267639  0.088348  0.374020  1
  Cu  Cu18  1  0.528904  0.610936  0.353793  1
  Cu  Cu19  1  0.336430  0.226138  0.362559  1
  Cu  Cu20  1  0.075476  0.704094  0.383067  1
  Cu  Cu21  1  0.898265  0.349662  0.364194  1
  Cu  Cu22  1  0.637272  0.827568  0.384264  1
  Cu  Cu23  1  0.460074  0.473155  0.365555  1
  Cu  Cu24  1  0.199008  0.950940  0.385611  1
  Cu  Cu25  1  0.744905  0.042870  0.415869  1
  Cu  Cu26  1  1.006314  0.565707  0.395420  1
  Cu  Cu27  1  0.813651  0.180524  0.404254  1
  Cu  Cu28  1  0.552626  0.658387  0.424997  1
  Cu  Cu29  1  0.375434  0.303986  0.405861  1
  Cu  Cu30  1  0.114442  0.781910  0.426180  1
  Cu  Cu31  1  0.937306  0.427610  0.407297  1
  Cu  Cu32  1  0.676177  0.905275  0.427529  1
  Cu  Cu33  1  0.222147  0.997347  0.457702  1
  Cu  Cu34  1  0.483548  0.520149  0.437121  1
  Cu  Cu35  1  0.290926  0.135048  0.446032  1
  Cu  Cu36  1  0.029776  0.612684  0.466834  1
  Cu  Cu37  1  0.852677  0.258451  0.447574  1
  Cu  Cu38  1  0.591637  0.736283  0.468058  1
  Cu  Cu39  1  0.414511  0.382017  0.449013  1
  Cu  Cu40  1  0.153393  0.859693  0.469413  1
  Cu  Cu41  1  0.699394  0.951834  0.499535  1
  Cu  Cu42  1  0.960727  0.474497  0.478867  1
  Cu  Cu43  1  0.768175  0.089537  0.487830  1
  Cu  Cu44  1  0.506937  0.567008  0.508626  1
  Cu  Cu45  1  0.329923  0.212929  0.489332  1
  Cu  Cu46  1  0.068829  0.690661  0.509886  1
  Cu  Cu47  1  0.891720  0.336436  0.490757  1
  Cu  Cu48  1  0.630612  0.814128  0.511265  1
  Cu  Cu49  1  0.176643  0.906325  0.541361  1
  Cu  Cu50  1  0.437885  0.428820  0.520655  1
  Cu  Cu51  1  0.245421  0.044027  0.529649  1
  Cu  Cu52  1  0.984118  0.521364  0.550383  1
  Cu  Cu53  1  0.807159  0.167405  0.531120  1
  Cu  Cu54  1  0.546042  0.645083  0.551669  1
  Cu  Cu55  1  0.368924  0.290847  0.532537  1
  Cu  Cu56  1  0.107849  0.768589  0.553086  1
  Cu  Cu57  1  0.653909  0.860842  0.583184  1
  Cu  Cu58  1  0.915017  0.383095  0.562490  1
  Cu  Cu59  1  0.722663  0.998509  0.571482  1
  Cu  Cu60  1  0.461306  0.475730  0.592092  1
  Cu  Cu61  1  0.284415  0.121922  0.572929  1
  Cu  Cu62  1  0.023285  0.599552  0.593391  1
  Cu  Cu63  1  0.846140  0.245282  0.574358  1
  Cu  Cu64  1  0.585146  0.723148  0.594881  1
  Cu  Cu65  1  0.131257  0.815505  0.625033  1
  Cu  Cu66  1  0.392113  0.337303  0.604431  1
  Cu  Cu67  1  0.199886  0.952947  0.613355  1
  Cu  Cu68  1  0.938542  0.430178  0.633742  1
  Cu  Cu69  1  0.761656  0.076399  0.614715  1
  Cu  Cu70  1  0.500494  0.553944  0.635045  1
  Cu  Cu71  1  0.323436  0.199862  0.616242  1
  Cu  Cu72  1  0.062434  0.677667  0.636589  1
  Cu  Cu73  1  0.608446  0.769792  0.666553  1
  Cu  Cu74  1  0.869193  0.291518  0.646604  1
  Cu  Cu75  1  0.677076  0.907307  0.655250  1
  Cu  Cu76  1  0.416104  0.385325  0.675117  1
  Cu  Cu77  1  0.238800  0.030672  0.656400  1
  Cu  Cu78  1  0.977804  0.508571  0.676634  1
  Cu  Cu79  1  0.800538  0.154014  0.657840  1
  Cu  Cu80  1  0.539601  0.631958  0.677895  1
  Cu  Cu81  1  0.085381  0.723479  0.707254  1
  Cu  Cu82  1  0.346171  0.245558  0.688291  1
  Cu  Cu83  1  0.153970  0.861139  0.696416  1
  Cu  Cu84  1  0.894501  0.342181  0.715245  1
  Cu  Cu85  1  0.716045  0.985191  0.697276  1
  Cu  Cu86  1  0.455689  0.464380  0.717441  1
  Cu  Cu87  1  0.277723  0.108269  0.698472  1
  Cu  Cu88  1  0.017253  0.587239  0.718466  1
