# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29392234
_cell_length_b   6.70197264
_cell_length_c   45.38678866
_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   2522.85372309
_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  1.002120  0.284092  0.298517  1
  Cu  Cu2  1  1.002420  0.929008  0.317311  1
  Cu  Cu3  1  0.002866  0.645677  0.282186  1
  Cu  Cu4  1  0.752621  0.062897  0.292755  1
  Cu  Cu5  1  0.752621  0.707295  0.310699  1
  Cu  Cu6  1  0.752621  0.353170  0.328084  1
  Cu  Cu7  1  0.503123  0.284092  0.298517  1
  Cu  Cu8  1  0.502822  0.929008  0.317311  1
  Cu  Cu9  1  0.502377  0.645677  0.282186  1
  Cu  Cu10  1  0.252621  0.146819  0.323178  1
  Cu  Cu11  1  0.252621  0.860747  0.287440  1
  Cu  Cu12  1  0.252621  0.500933  0.304731  1
  Cu  Cu13  1  1.001966  0.213796  0.353738  1
  Cu  Cu14  1  1.002598  0.856217  0.372413  1
  Cu  Cu15  1  0.003546  0.569560  0.335806  1
  Cu  Cu16  1  0.752621  0.996054  0.347463  1
  Cu  Cu17  1  0.752621  0.638587  0.365867  1
  Cu  Cu18  1  0.752621  0.282288  0.384235  1
  Cu  Cu19  1  0.503277  0.213796  0.353738  1
  Cu  Cu20  1  0.502644  0.856217  0.372413  1
  Cu  Cu21  1  0.501696  0.569560  0.335806  1
  Cu  Cu22  1  0.252621  0.072974  0.378584  1
  Cu  Cu23  1  0.252621  0.786578  0.341620  1
  Cu  Cu24  1  0.252621  0.429731  0.360251  1
  Cu  Cu25  1  1.002586  0.141713  0.409447  1
  Cu  Cu26  1  0.002623  0.784543  0.428105  1
  Cu  Cu27  1  0.002641  0.498764  0.391083  1
  Cu  Cu28  1  0.752621  0.924698  0.403067  1
  Cu  Cu29  1  0.752621  0.567438  0.421640  1
  Cu  Cu30  1  0.752621  0.210369  0.440126  1
  Cu  Cu31  1  0.502657  0.141713  0.409447  1
  Cu  Cu32  1  0.502619  0.784543  0.428105  1
  Cu  Cu33  1  0.502602  0.498764  0.391083  1
  Cu  Cu34  1  0.252621  1.001460  0.434440  1
  Cu  Cu35  1  0.252621  0.715785  0.397322  1
  Cu  Cu36  1  0.252621  0.358347  0.415945  1
  Cu  Cu37  1  0.002622  0.070105  0.465201  1
  Cu  Cu38  1  0.002634  0.712852  0.483804  1
  Cu  Cu39  1  0.002636  0.427177  0.446698  1
  Cu  Cu40  1  0.752621  0.853091  0.458790  1
  Cu  Cu41  1  0.752621  0.495802  0.477367  1
  Cu  Cu42  1  0.752621  0.138686  0.495893  1
  Cu  Cu43  1  0.502621  0.070105  0.465201  1
  Cu  Cu44  1  0.502608  0.712852  0.483804  1
  Cu  Cu45  1  0.502606  0.427177  0.446698  1
  Cu  Cu46  1  0.252621  0.929885  0.490205  1
  Cu  Cu47  1  0.252621  0.644215  0.453061  1
  Cu  Cu48  1  0.252621  0.286973  0.471674  1
  Cu  Cu49  1  0.002645  0.998475  0.520932  1
  Cu  Cu50  1  0.002653  0.641239  0.539522  1
  Cu  Cu51  1  0.002636  0.355595  0.502408  1
  Cu  Cu52  1  0.752621  0.781393  0.514498  1
  Cu  Cu53  1  0.752621  0.424158  0.533097  1
  Cu  Cu54  1  0.752621  0.067052  0.551584  1
  Cu  Cu55  1  0.502597  0.998475  0.520932  1
  Cu  Cu56  1  0.502590  0.641239  0.539522  1
  Cu  Cu57  1  0.502607  0.355595  0.502408  1
  Cu  Cu58  1  0.252621  0.858392  0.545946  1
  Cu  Cu59  1  0.252621  0.572675  0.508795  1
  Cu  Cu60  1  0.252621  0.215442  0.527421  1
  Cu  Cu61  1  0.002684  0.927014  0.576664  1
  Cu  Cu62  1  0.002705  0.569578  0.595230  1
  Cu  Cu63  1  0.002645  0.283929  0.558168  1
  Cu  Cu64  1  0.752621  0.709744  0.570196  1
  Cu  Cu65  1  0.752621  0.352438  0.588826  1
  Cu  Cu66  1  0.752621  0.995718  0.607183  1
  Cu  Cu67  1  0.502558  0.927014  0.576664  1
  Cu  Cu68  1  0.502537  0.569578  0.595230  1
  Cu  Cu69  1  0.502598  0.283929  0.558168  1
  Cu  Cu70  1  0.252621  0.786889  0.601635  1
  Cu  Cu71  1  0.252621  0.501083  0.564515  1
  Cu  Cu72  1  0.252621  0.143994  0.583222  1
  Cu  Cu73  1  0.003016  0.855407  0.632356  1
  Cu  Cu74  1  0.003031  0.499030  0.650906  1
  Cu  Cu75  1  0.002655  0.212412  0.614058  1
  Cu  Cu76  1  0.752621  0.637731  0.625849  1
  Cu  Cu77  1  0.752621  0.281274  0.644583  1
  Cu  Cu78  1  0.752621  0.923529  0.662151  1
  Cu  Cu79  1  0.502226  0.855407  0.632356  1
  Cu  Cu80  1  0.502212  0.499030  0.650906  1
  Cu  Cu81  1  0.502588  0.212412  0.614058  1
  Cu  Cu82  1  0.252621  0.716489  0.657165  1
  Cu  Cu83  1  0.252621  0.429603  0.620255  1
  Cu  Cu84  1  0.252621  0.072272  0.639041  1
  Cu  Cu85  1  0.003754  0.786108  0.687771  1
  Cu  Cu86  1  1.001482  0.427529  0.705264  1
  Cu  Cu87  1  1.001685  0.140000  0.669723  1
  Cu  Cu88  1  0.752621  0.565387  0.681133  1
  Cu  Cu89  1  0.752621  0.208213  0.699543  1
  Cu  Cu90  1  0.752621  0.851872  0.715702  1
  Cu  Cu91  1  0.501489  0.786108  0.687771  1
  Cu  Cu92  1  0.503761  0.427529  0.705264  1
  Cu  Cu93  1  0.503557  0.140000  0.669723  1
  Cu  Cu94  1  0.252621  0.639666  0.710877  1
  Cu  Cu95  1  0.252621  0.357766  0.675482  1
  Cu  Cu96  1  0.252621  1.004296  0.694451  1
