# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29449518
_cell_length_b   4.39278574
_cell_length_c   46.15832920
_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   Cu64
_cell_volume   1681.82212198
_cell_formula_units_Z   64
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  0.996641  0.867692  0.284690  1
  Cu  Cu2  1  0.752587  0.213432  0.284312  1
  Cu  Cu3  1  0.508532  0.867692  0.284690  1
  Cu  Cu4  1  0.252587  0.029308  0.309858  1
  Cu  Cu5  1  0.005048  0.371612  0.310601  1
  Cu  Cu6  1  0.752587  0.709255  0.311456  1
  Cu  Cu7  1  0.500125  0.371612  0.310601  1
  Cu  Cu8  1  0.252587  0.535845  0.337253  1
  Cu  Cu9  1  1.002457  0.875034  0.338710  1
  Cu  Cu10  1  0.752587  0.210883  0.338494  1
  Cu  Cu11  1  0.502716  0.875034  0.338710  1
  Cu  Cu12  1  0.252587  0.038193  0.365511  1
  Cu  Cu13  1  0.002941  0.376017  0.365942  1
  Cu  Cu14  1  0.752587  0.711883  0.366422  1
  Cu  Cu15  1  0.502232  0.376017  0.365942  1
  Cu  Cu16  1  0.252587  0.539136  0.393387  1
  Cu  Cu17  1  0.002904  0.876965  0.393990  1
  Cu  Cu18  1  0.752587  0.213379  0.394053  1
  Cu  Cu19  1  0.502269  0.876965  0.393990  1
  Cu  Cu20  1  0.252587  0.039961  0.421508  1
  Cu  Cu21  1  0.002768  0.377654  0.421717  1
  Cu  Cu22  1  0.752587  0.714488  0.421956  1
  Cu  Cu23  1  0.502405  0.377654  0.421717  1
  Cu  Cu24  1  0.252587  0.540448  0.449393  1
  Cu  Cu25  1  0.002680  0.878148  0.449653  1
  Cu  Cu26  1  0.752587  0.215353  0.449736  1
  Cu  Cu27  1  0.502493  0.878148  0.449653  1
  Cu  Cu28  1  0.252587  0.040857  0.477351  1
  Cu  Cu29  1  0.002632  0.378527  0.477485  1
  Cu  Cu30  1  0.752587  0.715985  0.477627  1
  Cu  Cu31  1  0.502542  0.378527  0.477485  1
  Cu  Cu32  1  0.252587  0.541208  0.505208  1
  Cu  Cu33  1  1.002586  0.878854  0.505399  1
  Cu  Cu34  1  0.752587  0.216544  0.505469  1
  Cu  Cu35  1  0.502587  0.878854  0.505399  1
  Cu  Cu36  1  0.252587  0.041591  0.533105  1
  Cu  Cu37  1  1.002523  0.379175  0.533253  1
  Cu  Cu38  1  0.752587  0.717119  0.533384  1
  Cu  Cu39  1  0.502650  0.379175  0.533253  1
  Cu  Cu40  1  0.252587  0.542071  0.560883  1
  Cu  Cu41  1  1.002504  0.879549  0.561200  1
  Cu  Cu42  1  0.752587  0.217715  0.561249  1
  Cu  Cu43  1  0.502669  0.879549  0.561200  1
  Cu  Cu44  1  0.252587  0.042833  0.588768  1
  Cu  Cu45  1  1.002324  0.379991  0.589033  1
  Cu  Cu46  1  0.752587  0.718602  0.589216  1
  Cu  Cu47  1  0.502850  0.379991  0.589033  1
  Cu  Cu48  1  0.252587  0.544025  0.616317  1
  Cu  Cu49  1  1.002403  0.880625  0.617126  1
  Cu  Cu50  1  0.752587  0.219423  0.617086  1
  Cu  Cu51  1  0.502770  0.880625  0.617126  1
  Cu  Cu52  1  0.252587  0.046193  0.644262  1
  Cu  Cu53  1  1.001794  0.381201  0.644793  1
  Cu  Cu54  1  0.752587  0.721185  0.645054  1
  Cu  Cu55  1  0.503379  0.381201  0.644793  1
  Cu  Cu56  1  0.252587  0.547704  0.670918  1
  Cu  Cu57  1  0.003972  0.881584  0.673021  1
  Cu  Cu58  1  0.752587  0.222728  0.672618  1
  Cu  Cu59  1  0.501201  0.881584  0.673021  1
  Cu  Cu60  1  0.252587  0.058124  0.699076  1
  Cu  Cu61  1  1.000480  0.383195  0.699786  1
  Cu  Cu62  1  0.752587  0.726353  0.699741  1
  Cu  Cu63  1  0.504693  0.383195  0.699786  1
  Cu  Cu64  1  0.252587  0.568012  0.723654  1
