# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.39140302
_cell_length_b   6.66538811
_cell_length_c   45.42115783
_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   Cu96
_cell_volume   2540.49428837
_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  0.503991  0.283292  0.296333  1
  Cu  Cu2  1  0.503497  0.930340  0.315901  1
  Cu  Cu3  1  0.504135  0.648869  0.280774  1
  Cu  Cu4  1  0.253855  0.063057  0.290863  1
  Cu  Cu5  1  0.253855  0.705134  0.308394  1
  Cu  Cu6  1  0.253855  0.352714  0.325935  1
  Cu  Cu7  1  1.003719  0.283292  0.296333  1
  Cu  Cu8  1  0.004212  0.930340  0.315901  1
  Cu  Cu9  1  1.003574  0.648869  0.280774  1
  Cu  Cu10  1  0.753855  0.149749  0.321697  1
  Cu  Cu11  1  0.753855  0.867320  0.285949  1
  Cu  Cu12  1  0.753855  0.502344  0.302851  1
  Cu  Cu13  1  0.503036  0.215349  0.352224  1
  Cu  Cu14  1  0.504008  0.857294  0.370798  1
  Cu  Cu15  1  0.504682  0.569649  0.334387  1
  Cu  Cu16  1  0.253855  0.995326  0.345813  1
  Cu  Cu17  1  0.253855  0.638689  0.363922  1
  Cu  Cu18  1  0.253855  0.282743  0.382288  1
  Cu  Cu19  1  0.004673  0.215349  0.352224  1
  Cu  Cu20  1  1.003702  0.857294  0.370798  1
  Cu  Cu21  1  1.003027  0.569649  0.334387  1
  Cu  Cu22  1  0.753855  0.074954  0.376967  1
  Cu  Cu23  1  0.753855  0.787479  0.340164  1
  Cu  Cu24  1  0.753855  0.432334  0.358768  1
  Cu  Cu25  1  0.503848  0.142876  0.407810  1
  Cu  Cu26  1  0.503835  0.785946  0.426499  1
  Cu  Cu27  1  0.503808  0.500158  0.389577  1
  Cu  Cu28  1  0.253855  0.924834  0.401267  1
  Cu  Cu29  1  0.253855  0.567849  0.419808  1
  Cu  Cu30  1  0.253855  0.210842  0.438240  1
  Cu  Cu31  1  0.003861  0.142876  0.407810  1
  Cu  Cu32  1  0.003874  0.785946  0.426499  1
  Cu  Cu33  1  0.003901  0.500158  0.389577  1
  Cu  Cu34  1  0.753855  1.003730  0.432896  1
  Cu  Cu35  1  0.753855  0.718058  0.395849  1
  Cu  Cu36  1  0.753855  0.360358  0.414389  1
  Cu  Cu37  1  0.503839  0.071536  0.463562  1
  Cu  Cu38  1  0.503878  0.714272  0.482160  1
  Cu  Cu39  1  0.503892  0.428449  0.445094  1
  Cu  Cu40  1  0.253855  0.853598  0.456988  1
  Cu  Cu41  1  0.253855  0.496323  0.475534  1
  Cu  Cu42  1  0.253855  0.139339  0.494034  1
  Cu  Cu43  1  0.003870  0.071536  0.463562  1
  Cu  Cu44  1  1.003831  0.714272  0.482160  1
  Cu  Cu45  1  1.003817  0.428449  0.445094  1
  Cu  Cu46  1  0.753855  0.932192  0.488648  1
  Cu  Cu47  1  0.753855  0.646359  0.451527  1
  Cu  Cu48  1  0.753855  0.289249  0.470147  1
  Cu  Cu49  1  0.503891  0.999992  0.519272  1
  Cu  Cu50  1  0.503885  0.642889  0.537870  1
  Cu  Cu51  1  0.503868  0.357092  0.500783  1
  Cu  Cu52  1  0.253855  0.781978  0.512666  1
  Cu  Cu53  1  0.253855  0.424855  0.531255  1
  Cu  Cu54  1  0.253855  0.067713  0.549681  1
  Cu  Cu55  1  1.003819  0.999992  0.519272  1
  Cu  Cu56  1  1.003825  0.642889  0.537870  1
  Cu  Cu57  1  1.003841  0.357092  0.500783  1
  Cu  Cu58  1  0.753855  0.860990  0.544378  1
  Cu  Cu59  1  0.753855  0.575077  0.507255  1
  Cu  Cu60  1  0.753855  0.217861  0.525879  1
  Cu  Cu61  1  0.503962  0.928806  0.575034  1
  Cu  Cu62  1  0.503918  0.571194  0.593544  1
  Cu  Cu63  1  0.503873  0.285462  0.556536  1
  Cu  Cu64  1  0.253855  0.710425  0.568351  1
  Cu  Cu65  1  0.253855  0.353097  0.586938  1
  Cu  Cu66  1  0.253855  0.996461  0.605193  1
  Cu  Cu67  1  1.003747  0.928806  0.575034  1
  Cu  Cu68  1  1.003791  0.571194  0.593544  1
  Cu  Cu69  1  1.003836  0.285462  0.556536  1
  Cu  Cu70  1  0.753855  0.789458  0.599973  1
  Cu  Cu71  1  0.753855  0.503585  0.562947  1
  Cu  Cu72  1  0.753855  0.146805  0.581694  1
  Cu  Cu73  1  0.504094  0.856820  0.630723  1
  Cu  Cu74  1  0.504267  0.502041  0.649230  1
  Cu  Cu75  1  0.503950  0.214309  0.612511  1
  Cu  Cu76  1  0.253855  0.638161  0.623974  1
  Cu  Cu77  1  0.253855  0.281967  0.642577  1
  Cu  Cu78  1  0.253855  0.924583  0.659984  1
  Cu  Cu79  1  1.003616  0.856820  0.630723  1
  Cu  Cu80  1  1.003443  0.502041  0.649230  1
  Cu  Cu81  1  1.003760  0.214309  0.612511  1
  Cu  Cu82  1  0.753855  0.720756  0.655407  1
  Cu  Cu83  1  0.753855  0.432587  0.618716  1
  Cu  Cu84  1  0.753855  0.074496  0.637385  1
  Cu  Cu85  1  0.505493  0.789923  0.686670  1
  Cu  Cu86  1  0.502652  0.426126  0.703763  1
  Cu  Cu87  1  0.503167  0.141303  0.668108  1
  Cu  Cu88  1  0.253855  0.565702  0.679222  1
  Cu  Cu89  1  0.253855  0.208549  0.697820  1
  Cu  Cu90  1  0.253855  0.851372  0.713493  1
  Cu  Cu91  1  1.002217  0.789923  0.686670  1
  Cu  Cu92  1  0.005058  0.426126  0.703763  1
  Cu  Cu93  1  0.004542  0.141303  0.668108  1
  Cu  Cu94  1  0.753855  0.640670  0.708963  1
  Cu  Cu95  1  0.753855  0.360537  0.673655  1
  Cu  Cu96  1  0.753855  0.010966  0.693677  1
