# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42102187
_cell_length_b   12.85818106
_cell_length_c   46.06487527
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.93707652
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu96
_cell_volume   2579.33284376
_cell_formula_units_Z   96
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  0.407311  0.144859  0.285351  1
  Cu  Cu2  1  0.574986  0.475607  0.294348  1
  Cu  Cu3  1  0.736909  0.806180  0.302982  1
  Cu  Cu4  1  0.651835  0.980880  0.281848  1
  Cu  Cu5  1  0.821031  0.310251  0.289849  1
  Cu  Cu6  1  0.986925  0.640993  0.298883  1
  Cu  Cu7  1  0.902360  0.136097  0.311672  1
  Cu  Cu8  1  0.067738  0.466090  0.320611  1
  Cu  Cu9  1  0.233025  0.796823  0.329411  1
  Cu  Cu10  1  0.151137  0.970656  0.307409  1
  Cu  Cu11  1  0.319233  0.300997  0.316136  1
  Cu  Cu12  1  0.484700  0.631161  0.325194  1
  Cu  Cu13  1  0.398084  0.125727  0.339120  1
  Cu  Cu14  1  0.563058  0.456073  0.348251  1
  Cu  Cu15  1  0.727562  0.785466  0.357415  1
  Cu  Cu16  1  0.649141  0.961128  0.335015  1
  Cu  Cu17  1  0.814361  0.291072  0.343779  1
  Cu  Cu18  1  0.980584  0.621014  0.352835  1
  Cu  Cu19  1  0.892881  0.115890  0.367031  1
  Cu  Cu20  1  0.057273  0.445811  0.376100  1
  Cu  Cu21  1  0.222258  0.775535  0.385273  1
  Cu  Cu22  1  0.144679  0.950407  0.362401  1
  Cu  Cu23  1  0.310730  0.280779  0.371570  1
  Cu  Cu24  1  0.476345  0.610602  0.380733  1
  Cu  Cu25  1  0.387209  0.105459  0.394803  1
  Cu  Cu26  1  0.551876  0.435499  0.403988  1
  Cu  Cu27  1  0.717003  0.765327  0.413238  1
  Cu  Cu28  1  0.641092  0.940366  0.390261  1
  Cu  Cu29  1  0.806417  0.270580  0.399457  1
  Cu  Cu30  1  0.971794  0.600472  0.408602  1
  Cu  Cu31  1  0.882010  0.095279  0.422708  1
  Cu  Cu32  1  0.046865  0.425291  0.431892  1
  Cu  Cu33  1  0.211942  0.755123  0.441156  1
  Cu  Cu34  1  0.136643  0.930224  0.418067  1
  Cu  Cu35  1  0.301610  0.260251  0.427317  1
  Cu  Cu36  1  0.466885  0.590196  0.436527  1
  Cu  Cu37  1  0.376946  0.085036  0.450568  1
  Cu  Cu38  1  0.541831  0.415007  0.459785  1
  Cu  Cu39  1  0.706886  0.744907  0.469067  1
  Cu  Cu40  1  0.631794  0.920032  0.445936  1
  Cu  Cu41  1  0.796728  0.250042  0.455210  1
  Cu  Cu42  1  0.961852  0.579974  0.464421  1
  Cu  Cu43  1  0.871880  0.074811  0.478456  1
  Cu  Cu44  1  0.036843  0.404776  0.487679  1
  Cu  Cu45  1  0.201839  0.734694  0.496963  1
  Cu  Cu46  1  0.126800  0.909832  0.473809  1
  Cu  Cu47  1  0.291748  0.239785  0.483091  1
  Cu  Cu48  1  0.456789  0.569733  0.492317  1
  Cu  Cu49  1  0.366810  0.064583  0.506344  1
  Cu  Cu50  1  0.531852  0.394531  0.515569  1
  Cu  Cu51  1  0.696799  0.724484  0.524851  1
  Cu  Cu52  1  0.621761  0.899622  0.501698  1
  Cu  Cu53  1  0.786756  0.229540  0.510981  1
  Cu  Cu54  1  0.951719  0.559505  0.520204  1
  Cu  Cu55  1  0.861747  0.054342  0.534240  1
  Cu  Cu56  1  0.026871  0.384274  0.543451  1
  Cu  Cu57  1  0.191805  0.714284  0.552724  1
  Cu  Cu58  1  0.116713  0.889409  0.529594  1
  Cu  Cu59  1  0.281768  0.219309  0.538875  1
  Cu  Cu60  1  0.446653  0.549281  0.548092  1
  Cu  Cu61  1  0.356714  0.044120  0.562134  1
  Cu  Cu62  1  0.521989  0.374065  0.571343  1
  Cu  Cu63  1  0.686956  0.704092  0.580594  1
  Cu  Cu64  1  0.611658  0.879193  0.557504  1
  Cu  Cu65  1  0.776734  0.209025  0.566769  1
  Cu  Cu66  1  0.941590  0.539037  0.575952  1
  Cu  Cu67  1  0.851805  0.033844  0.590059  1
  Cu  Cu68  1  0.017182  0.363737  0.599204  1
  Cu  Cu69  1  0.182507  0.693950  0.608400  1
  Cu  Cu70  1  0.106596  0.868989  0.585422  1
  Cu  Cu71  1  0.271723  0.198817  0.594672  1
  Cu  Cu72  1  0.436390  0.528857  0.603858  1
  Cu  Cu73  1  0.347254  0.023714  0.617928  1
  Cu  Cu74  1  0.512869  0.353537  0.627090  1
  Cu  Cu75  1  0.678920  0.683909  0.636259  1
  Cu  Cu76  1  0.601342  0.858781  0.613388  1
  Cu  Cu77  1  0.766326  0.188506  0.622560  1
  Cu  Cu78  1  0.930718  0.518426  0.631629  1
  Cu  Cu79  1  0.843015  0.013302  0.645825  1
  Cu  Cu80  1  0.009238  0.343245  0.654881  1
  Cu  Cu81  1  0.174459  0.673188  0.663645  1
  Cu  Cu82  1  0.096037  0.848850  0.641245  1
  Cu  Cu83  1  0.260541  0.178243  0.650409  1
  Cu  Cu84  1  0.425516  0.508590  0.659540  1
  Cu  Cu85  1  0.338899  0.003155  0.673466  1
  Cu  Cu86  1  0.504366  0.333319  0.682525  1
  Cu  Cu87  1  0.672462  0.663660  0.691252  1
  Cu  Cu88  1  0.590574  0.837493  0.669249  1
  Cu  Cu89  1  0.755861  0.168227  0.678050  1
  Cu  Cu90  1  0.921239  0.498219  0.686989  1
  Cu  Cu91  1  0.836674  0.993323  0.699777  1
  Cu  Cu92  1  1.002568  0.324065  0.708811  1
  Cu  Cu93  1  0.171765  0.653436  0.716812  1
  Cu  Cu94  1  0.086690  0.828136  0.695679  1
  Cu  Cu95  1  0.248613  0.158709  0.704312  1
  Cu  Cu96  1  0.416288  0.489457  0.713309  1
