# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14003846
_cell_length_b   11.05378208
_cell_length_c   47.43943582
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu84
_cell_volume   2170.97483411
_cell_formula_units_Z   84
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  0.752698  0.518552  0.296756  1
  Cu  Cu2  1  0.752698  0.302050  0.277242  1
  Cu  Cu3  1  0.752698  0.913030  0.287012  1
  Cu  Cu4  1  0.252698  0.384719  0.300303  1
  Cu  Cu5  1  0.252698  0.170675  0.280266  1
  Cu  Cu6  1  0.252698  0.778463  0.290558  1
  Cu  Cu7  1  0.752698  0.333984  0.329092  1
  Cu  Cu8  1  0.752698  0.121253  0.308217  1
  Cu  Cu9  1  0.752698  0.728512  0.318213  1
  Cu  Cu10  1  0.252698  0.201068  0.332650  1
  Cu  Cu11  1  0.252698  0.987728  0.311518  1
  Cu  Cu12  1  0.252698  0.594003  0.321726  1
  Cu  Cu13  1  0.752698  0.149173  0.361303  1
  Cu  Cu14  1  0.752698  0.937482  0.340007  1
  Cu  Cu15  1  0.752698  0.544115  0.350223  1
  Cu  Cu16  1  0.252698  0.016150  0.364868  1
  Cu  Cu17  1  0.252698  0.804600  0.343461  1
  Cu  Cu18  1  0.252698  0.411007  0.353990  1
  Cu  Cu19  1  0.752698  0.964913  0.393610  1
  Cu  Cu20  1  0.752698  0.753890  0.371981  1
  Cu  Cu21  1  0.752698  0.360075  0.382725  1
  Cu  Cu22  1  0.252698  0.831732  0.397204  1
  Cu  Cu23  1  0.252698  0.620862  0.375540  1
  Cu  Cu24  1  0.252698  0.226844  0.386465  1
  Cu  Cu25  1  0.752698  0.780851  0.425874  1
  Cu  Cu26  1  0.752698  0.570311  0.404254  1
  Cu  Cu27  1  0.752698  0.175751  0.415108  1
  Cu  Cu28  1  0.252698  0.647661  0.429524  1
  Cu  Cu29  1  0.252698  0.437172  0.407993  1
  Cu  Cu30  1  0.252698  0.042495  0.418784  1
  Cu  Cu31  1  0.752698  0.596813  0.458191  1
  Cu  Cu32  1  0.752698  0.386290  0.436639  1
  Cu  Cu33  1  0.752698  0.991528  0.447443  1
  Cu  Cu34  1  0.252698  0.463622  0.461907  1
  Cu  Cu35  1  0.252698  0.253067  0.440364  1
  Cu  Cu36  1  0.252698  0.858283  0.451116  1
  Cu  Cu37  1  0.752698  0.412713  0.490547  1
  Cu  Cu38  1  0.752698  0.202130  0.468993  1
  Cu  Cu39  1  0.752698  0.807373  0.479766  1
  Cu  Cu40  1  0.252698  0.279482  0.494253  1
  Cu  Cu41  1  0.252698  0.068883  0.472691  1
  Cu  Cu42  1  0.252698  0.674163  0.483462  1
  Cu  Cu43  1  0.752698  0.228552  0.522887  1
  Cu  Cu44  1  0.752698  0.017953  0.501326  1
  Cu  Cu45  1  0.752698  0.623273  0.512116  1
  Cu  Cu46  1  0.252698  0.095305  0.526585  1
  Cu  Cu47  1  0.252698  0.884722  0.505031  1
  Cu  Cu48  1  0.252698  0.490062  0.515812  1
  Cu  Cu49  1  0.752698  0.044369  0.555214  1
  Cu  Cu50  1  0.752698  0.833813  0.533671  1
  Cu  Cu51  1  0.752698  0.439152  0.544462  1
  Cu  Cu52  1  0.252698  0.911146  0.558940  1
  Cu  Cu53  1  0.252698  0.700622  0.537388  1
  Cu  Cu54  1  0.252698  0.305907  0.548135  1
  Cu  Cu55  1  0.752698  0.860263  0.587585  1
  Cu  Cu56  1  0.752698  0.649774  0.566054  1
  Cu  Cu57  1  0.752698  0.254941  0.576794  1
  Cu  Cu58  1  0.252698  0.727124  0.591324  1
  Cu  Cu59  1  0.252698  0.516584  0.569704  1
  Cu  Cu60  1  0.252698  0.121685  0.580470  1
  Cu  Cu61  1  0.752698  0.676573  0.620038  1
  Cu  Cu62  1  0.752698  0.465704  0.598374  1
  Cu  Cu63  1  0.752698  0.070592  0.609114  1
  Cu  Cu64  1  0.252698  0.543545  0.623597  1
  Cu  Cu65  1  0.252698  0.332523  0.601968  1
  Cu  Cu66  1  0.252698  0.937360  0.612853  1
  Cu  Cu67  1  0.752698  0.492836  0.652117  1
  Cu  Cu68  1  0.752698  0.281285  0.630711  1
  Cu  Cu69  1  0.752698  0.886429  0.641589  1
  Cu  Cu70  1  0.252698  0.359954  0.655571  1
  Cu  Cu71  1  0.252698  0.148262  0.634275  1
  Cu  Cu72  1  0.252698  0.753321  0.645355  1
  Cu  Cu73  1  0.752698  0.309707  0.684060  1
  Cu  Cu74  1  0.752698  0.096367  0.662928  1
  Cu  Cu75  1  0.752698  0.703433  0.673853  1
  Cu  Cu76  1  0.252698  0.176183  0.687361  1
  Cu  Cu77  1  0.252698  0.963452  0.666486  1
  Cu  Cu78  1  0.252698  0.568923  0.677366  1
  Cu  Cu79  1  0.752698  0.126760  0.715312  1
  Cu  Cu80  1  0.752698  0.912716  0.695275  1
  Cu  Cu81  1  0.752698  0.518972  0.705020  1
  Cu  Cu82  1  0.252698  0.995386  0.718336  1
  Cu  Cu83  1  0.252698  0.778883  0.698822  1
  Cu  Cu84  1  0.252698  0.384405  0.708566  1
