# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60657281
_cell_length_b   6.60980623
_cell_length_c   48.22129683
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu72
_cell_volume   2063.1911005
_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  0.805872  0.805038  0.291034  1
  Cu  Cu2  1  0.305872  0.305038  0.291034  1
  Cu  Cu3  1  0.206418  0.705741  0.312691  1
  Cu  Cu4  1  0.706418  0.205741  0.312691  1
  Cu  Cu5  1  0.555872  0.555038  0.291034  1
  Cu  Cu6  1  0.055872  0.055038  0.291034  1
  Cu  Cu7  1  0.956418  0.455741  0.312691  1
  Cu  Cu8  1  0.456418  0.955741  0.312691  1
  Cu  Cu9  1  0.629323  0.628813  0.338467  1
  Cu  Cu10  1  0.129323  0.128813  0.338467  1
  Cu  Cu11  1  0.043120  0.542730  0.363001  1
  Cu  Cu12  1  0.543120  0.042730  0.363001  1
  Cu  Cu13  1  0.379323  0.378813  0.338467  1
  Cu  Cu14  1  0.879323  0.878813  0.338467  1
  Cu  Cu15  1  0.793120  0.292730  0.363001  1
  Cu  Cu16  1  0.293120  0.792730  0.363001  1
  Cu  Cu17  1  0.460844  0.460496  0.388429  1
  Cu  Cu18  1  0.960844  0.960496  0.388429  1
  Cu  Cu19  1  0.876550  0.376255  0.413427  1
  Cu  Cu20  1  0.376550  0.876255  0.413427  1
  Cu  Cu21  1  0.210844  0.210496  0.388429  1
  Cu  Cu22  1  0.710844  0.710496  0.388429  1
  Cu  Cu23  1  0.626550  0.126255  0.413427  1
  Cu  Cu24  1  0.126550  0.626255  0.413427  1
  Cu  Cu25  1  0.293281  0.293049  0.438552  1
  Cu  Cu26  1  0.793281  0.793049  0.438552  1
  Cu  Cu27  1  0.709571  0.209397  0.463658  1
  Cu  Cu28  1  0.209571  0.709397  0.463658  1
  Cu  Cu29  1  0.043281  0.043049  0.438552  1
  Cu  Cu30  1  0.543281  0.543049  0.438552  1
  Cu  Cu31  1  0.459571  0.959397  0.463658  1
  Cu  Cu32  1  0.959571  0.459397  0.463658  1
  Cu  Cu33  1  0.126022  0.125906  0.488764  1
  Cu  Cu34  1  0.626022  0.625906  0.488764  1
  Cu  Cu35  1  0.542411  0.042355  0.513867  1
  Cu  Cu36  1  0.042411  0.542355  0.513867  1
  Cu  Cu37  1  0.876022  0.875906  0.488764  1
  Cu  Cu38  1  0.376022  0.375906  0.488764  1
  Cu  Cu39  1  0.292411  0.792355  0.513867  1
  Cu  Cu40  1  0.792411  0.292355  0.513867  1
  Cu  Cu41  1  0.958861  0.958864  0.538974  1
  Cu  Cu42  1  0.458861  0.458864  0.538974  1
  Cu  Cu43  1  0.375151  0.875212  0.564079  1
  Cu  Cu44  1  0.875151  0.375212  0.564079  1
  Cu  Cu45  1  0.708861  0.708864  0.538974  1
  Cu  Cu46  1  0.208861  0.208864  0.538974  1
  Cu  Cu47  1  0.125151  0.625212  0.564079  1
  Cu  Cu48  1  0.625151  0.125212  0.564079  1
  Cu  Cu49  1  0.791883  0.792006  0.589204  1
  Cu  Cu50  1  0.291883  0.292006  0.589204  1
  Cu  Cu51  1  0.207589  0.707766  0.614202  1
  Cu  Cu52  1  0.707589  0.207766  0.614202  1
  Cu  Cu53  1  0.541883  0.542006  0.589204  1
  Cu  Cu54  1  0.041883  0.042006  0.589204  1
  Cu  Cu55  1  0.957589  0.457766  0.614202  1
  Cu  Cu56  1  0.457589  0.957766  0.614202  1
  Cu  Cu57  1  0.625312  0.625531  0.639631  1
  Cu  Cu58  1  0.125312  0.125531  0.639631  1
  Cu  Cu59  1  0.039110  0.539448  0.664164  1
  Cu  Cu60  1  0.539110  0.039448  0.664164  1
  Cu  Cu61  1  0.375312  0.375531  0.639631  1
  Cu  Cu62  1  0.875312  0.875531  0.639631  1
  Cu  Cu63  1  0.789110  0.289448  0.664164  1
  Cu  Cu64  1  0.289110  0.789448  0.664164  1
  Cu  Cu65  1  0.462015  0.462521  0.689940  1
  Cu  Cu66  1  0.962015  0.962521  0.689940  1
  Cu  Cu67  1  0.862560  0.363223  0.711597  1
  Cu  Cu68  1  0.362560  0.863223  0.711597  1
  Cu  Cu69  1  0.212015  0.212521  0.689940  1
  Cu  Cu70  1  0.712015  0.712521  0.689940  1
  Cu  Cu71  1  0.612560  0.113223  0.711597  1
  Cu  Cu72  1  0.112560  0.613223  0.711597  1
