# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76051556
_cell_length_b   7.75976407
_cell_length_c   48.53516148
_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   Cu128
_cell_volume   2863.7241788
_cell_formula_units_Z   128
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  0.829531  0.830291  0.326002  1
  Cu  Cu2  1  0.495899  0.496701  0.270014  1
  Cu  Cu3  1  0.417232  0.913586  0.296130  1
  Cu  Cu4  1  0.912830  0.417992  0.296130  1
  Cu  Cu5  1  0.664066  0.664822  0.295864  1
  Cu  Cu6  1  0.160841  0.161595  0.295296  1
  Cu  Cu7  1  0.250820  0.742982  0.270476  1
  Cu  Cu8  1  0.742180  0.251621  0.270476  1
  Cu  Cu9  1  0.957550  0.710108  0.282772  1
  Cu  Cu10  1  0.455128  0.205905  0.282488  1
  Cu  Cu11  1  0.372166  0.622099  0.312362  1
  Cu  Cu12  1  0.873940  0.121316  0.311294  1
  Cu  Cu13  1  0.709324  0.958323  0.282771  1
  Cu  Cu14  1  0.205130  0.455902  0.282488  1
  Cu  Cu15  1  0.120552  0.874704  0.311297  1
  Cu  Cu16  1  0.621329  0.372937  0.312362  1
  Cu  Cu17  1  0.662440  0.663167  0.384759  1
  Cu  Cu18  1  0.328855  0.329613  0.325456  1
  Cu  Cu19  1  0.245703  0.748631  0.355417  1
  Cu  Cu20  1  0.747888  0.246447  0.355416  1
  Cu  Cu21  1  0.496287  0.497032  0.355738  1
  Cu  Cu22  1  0.996621  0.997368  0.355331  1
  Cu  Cu23  1  0.080281  0.582029  0.325696  1
  Cu  Cu24  1  0.581272  0.081040  0.325695  1
  Cu  Cu25  1  0.788709  0.539629  0.340260  1
  Cu  Cu26  1  0.288452  0.039360  0.339799  1
  Cu  Cu27  1  0.204052  0.455069  0.369792  1
  Cu  Cu28  1  0.704390  0.955105  0.370045  1
  Cu  Cu29  1  0.538883  0.789454  0.340260  1
  Cu  Cu30  1  0.038615  0.289195  0.339799  1
  Cu  Cu31  1  0.954366  0.705129  0.370045  1
  Cu  Cu32  1  0.454333  0.204790  0.369792  1
  Cu  Cu33  1  0.493752  0.494454  0.443924  1
  Cu  Cu34  1  0.162345  0.163073  0.384463  1
  Cu  Cu35  1  0.078042  0.578635  0.414304  1
  Cu  Cu36  1  0.577919  0.078758  0.414304  1
  Cu  Cu37  1  0.327973  0.328688  0.414193  1
  Cu  Cu38  1  0.828039  0.828756  0.414387  1
  Cu  Cu39  1  0.912647  0.412839  0.384613  1
  Cu  Cu40  1  0.412112  0.913375  0.384613  1
  Cu  Cu41  1  0.620459  0.370552  0.399661  1
  Cu  Cu42  1  0.120028  0.871182  0.399668  1
  Cu  Cu43  1  0.036087  0.286541  0.429038  1
  Cu  Cu44  1  0.535816  0.786756  0.429094  1
  Cu  Cu45  1  0.369830  0.621180  0.399661  1
  Cu  Cu46  1  0.870459  0.120751  0.399668  1
  Cu  Cu47  1  0.786047  0.536524  0.429094  1
  Cu  Cu48  1  0.285832  0.036796  0.429038  1
  Cu  Cu49  1  0.325287  0.325964  0.503014  1
  Cu  Cu50  1  0.993815  0.994518  0.443985  1
  Cu  Cu51  1  0.909594  0.410180  0.473457  1
  Cu  Cu52  1  0.409490  0.910284  0.473457  1
  Cu  Cu53  1  0.159552  0.160242  0.473449  1
  Cu  Cu54  1  0.659521  0.660211  0.473466  1
  Cu  Cu55  1  0.743865  0.244411  0.443959  1
  Cu  Cu56  1  0.243709  0.744568  0.443959  1
  Cu  Cu57  1  0.451592  0.202390  0.458644  1
  Cu  Cu58  1  0.951677  0.702296  0.458696  1
  Cu  Cu59  1  0.867412  0.118075  0.488302  1
  Cu  Cu60  1  0.367396  0.618091  0.488284  1
  Cu  Cu61  1  0.201693  0.452289  0.458644  1
  Cu  Cu62  1  0.701600  0.952373  0.458696  1
  Cu  Cu63  1  0.617407  0.368079  0.488284  1
  Cu  Cu64  1  0.117392  0.868095  0.488302  1
  Cu  Cu65  1  0.156713  0.157364  0.562145  1
  Cu  Cu66  1  0.825262  0.825939  0.503052  1
  Cu  Cu67  1  0.741101  0.241621  0.532655  1
  Cu  Cu68  1  0.240956  0.741765  0.532655  1
  Cu  Cu69  1  0.991004  0.991668  0.532661  1
  Cu  Cu70  1  0.491043  0.491707  0.532651  1
  Cu  Cu71  1  0.575290  0.075943  0.503032  1
  Cu  Cu72  1  0.075266  0.575968  0.503032  1
  Cu  Cu73  1  0.283146  0.033814  0.517813  1
  Cu  Cu74  1  0.783152  0.533815  0.517842  1
  Cu  Cu75  1  0.698964  0.949509  0.547412  1
  Cu  Cu76  1  0.198844  0.449641  0.547349  1
  Cu  Cu77  1  0.033144  0.283816  0.517813  1
  Cu  Cu78  1  0.533144  0.783822  0.517842  1
  Cu  Cu79  1  0.448983  0.199502  0.547349  1
  Cu  Cu80  1  0.948851  0.699622  0.547412  1
  Cu  Cu81  1  0.988427  0.989053  0.621665  1
  Cu  Cu82  1  0.656782  0.657434  0.562233  1
  Cu  Cu83  1  0.572607  0.073072  0.591703  1
  Cu  Cu84  1  0.072436  0.573245  0.591703  1
  Cu  Cu85  1  0.822598  0.823235  0.591807  1
  Cu  Cu86  1  0.322536  0.323172  0.591573  1
  Cu  Cu87  1  0.406657  0.907486  0.562195  1
  Cu  Cu88  1  0.906834  0.407308  0.562195  1
  Cu  Cu89  1  0.114489  0.865432  0.577076  1
  Cu  Cu90  1  0.614824  0.365163  0.577014  1
  Cu  Cu91  1  0.530093  0.781261  0.606578  1
  Cu  Cu92  1  0.030663  0.280492  0.606553  1
  Cu  Cu93  1  0.864787  0.115134  0.577076  1
  Cu  Cu94  1  0.364518  0.615469  0.577014  1
  Cu  Cu95  1  0.279861  0.031295  0.606553  1
  Cu  Cu96  1  0.780628  0.530726  0.606577  1
  Cu  Cu97  1  0.819559  0.820151  0.680144  1
  Cu  Cu98  1  0.488272  0.488897  0.621319  1
  Cu  Cu99  1  0.402418  0.906368  0.650879  1
  Cu  Cu100  1  0.905756  0.403029  0.650878  1
  Cu  Cu101  1  0.653785  0.654402  0.650805  1
  Cu  Cu102  1  0.153665  0.154277  0.651323  1
  Cu  Cu103  1  0.237947  0.739239  0.621484  1
  Cu  Cu104  1  0.738613  0.238572  0.621483  1
  Cu  Cu105  1  0.946205  0.696838  0.636090  1
  Cu  Cu106  1  0.445931  0.196915  0.635786  1
  Cu  Cu107  1  0.361936  0.612838  0.665700  1
  Cu  Cu108  1  0.862417  0.113064  0.666205  1
  Cu  Cu109  1  0.696223  0.946821  0.636090  1
  Cu  Cu110  1  0.196301  0.446545  0.635786  1
  Cu  Cu111  1  0.112459  0.863023  0.666204  1
  Cu  Cu112  1  0.612233  0.362540  0.665699  1
  Cu  Cu113  1  0.655855  0.656408  0.734386  1
  Cu  Cu114  1  0.320162  0.320751  0.679511  1
  Cu  Cu115  1  0.239361  0.736576  0.709911  1
  Cu  Cu116  1  0.735988  0.239958  0.709912  1
  Cu  Cu117  1  0.486029  0.486618  0.709201  1
  Cu  Cu118  1  0.984518  0.985105  0.709623  1
  Cu  Cu119  1  0.072094  0.571457  0.679736  1
  Cu  Cu120  1  0.570868  0.072685  0.679736  1
  Cu  Cu121  1  0.782061  0.526028  0.694126  1
  Cu  Cu122  1  0.277670  0.029899  0.695776  1
  Cu  Cu123  1  0.195910  0.445385  0.722072  1
  Cu  Cu124  1  0.692070  0.945950  0.722579  1
  Cu  Cu125  1  0.525433  0.782659  0.694129  1
  Cu  Cu126  1  0.029298  0.278271  0.695776  1
  Cu  Cu127  1  0.945374  0.692629  0.722578  1
  Cu  Cu128  1  0.444821  0.196475  0.722072  1
