# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75365173
_cell_length_b   12.85569693
_cell_length_c   49.57211401
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.15809668
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu162
_cell_volume   4300.94196903
_cell_formula_units_Z   162
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  0.550359  0.175306  0.316403  1
  Cu  Cu2  1  0.529634  0.853064  0.300655  1
  Cu  Cu3  1  0.506191  0.531153  0.285180  1
  Cu  Cu4  1  0.883693  0.841973  0.316403  1
  Cu  Cu5  1  0.862968  0.519731  0.300655  1
  Cu  Cu6  1  0.217026  0.508639  0.316403  1
  Cu  Cu7  1  0.839525  0.197819  0.285180  1
  Cu  Cu8  1  0.196301  0.186398  0.300655  1
  Cu  Cu9  1  0.172858  0.864486  0.285180  1
  Cu  Cu10  1  0.639057  0.355372  0.298009  1
  Cu  Cu11  1  0.619671  0.032975  0.282885  1
  Cu  Cu12  1  0.659064  0.676021  0.313959  1
  Cu  Cu13  1  0.972390  0.022039  0.298009  1
  Cu  Cu14  1  0.953005  0.699642  0.282885  1
  Cu  Cu15  1  0.305724  0.688706  0.298009  1
  Cu  Cu16  1  0.992398  0.342688  0.313959  1
  Cu  Cu17  1  0.286338  0.366308  0.282885  1
  Cu  Cu18  1  0.325731  0.009354  0.313959  1
  Cu  Cu19  1  0.620760  0.136158  0.366574  1
  Cu  Cu20  1  0.598431  0.815096  0.349817  1
  Cu  Cu21  1  0.574629  0.494383  0.333245  1
  Cu  Cu22  1  0.954094  0.802825  0.366574  1
  Cu  Cu23  1  0.931764  0.481763  0.349817  1
  Cu  Cu24  1  0.287427  0.469492  0.366574  1
  Cu  Cu25  1  0.907962  0.161049  0.333245  1
  Cu  Cu26  1  0.265097  0.148429  0.349817  1
  Cu  Cu27  1  0.241296  0.827716  0.333245  1
  Cu  Cu28  1  0.705218  0.317136  0.347127  1
  Cu  Cu29  1  0.681736  0.997420  0.330866  1
  Cu  Cu30  1  0.726932  0.637643  0.363916  1
  Cu  Cu31  1  0.038551  0.983802  0.347127  1
  Cu  Cu32  1  0.015069  0.664087  0.330866  1
  Cu  Cu33  1  0.371885  0.650469  0.347127  1
  Cu  Cu34  1  0.060265  0.304310  0.363916  1
  Cu  Cu35  1  0.348402  0.330754  0.330866  1
  Cu  Cu36  1  0.393599  0.970977  0.363916  1
  Cu  Cu37  1  0.689957  0.097591  0.416713  1
  Cu  Cu38  1  0.667017  0.777008  0.399962  1
  Cu  Cu39  1  0.644057  0.456358  0.383230  1
  Cu  Cu40  1  0.023290  0.764258  0.416713  1
  Cu  Cu41  1  1.000351  0.443675  0.399962  1
  Cu  Cu42  1  0.356624  0.430924  0.416713  1
  Cu  Cu43  1  0.977390  0.123024  0.383230  1
  Cu  Cu44  1  0.333684  0.110341  0.399962  1
  Cu  Cu45  1  0.310724  0.789691  0.383230  1
  Cu  Cu46  1  0.772404  0.279015  0.397371  1
  Cu  Cu47  1  0.749587  0.958516  0.380668  1
  Cu  Cu48  1  0.795071  0.599531  0.414114  1
  Cu  Cu49  1  0.105737  0.945682  0.397371  1
  Cu  Cu50  1  0.082920  0.625183  0.380668  1
  Cu  Cu51  1  0.439070  0.612348  0.397371  1
  Cu  Cu52  1  0.128404  0.266198  0.414114  1
  Cu  Cu53  1  0.416254  0.291849  0.380668  1
  Cu  Cu54  1  0.461738  0.932865  0.414114  1
  Cu  Cu55  1  0.758587  0.059229  0.466869  1
  Cu  Cu56  1  0.735683  0.738689  0.450141  1
  Cu  Cu57  1  0.712837  0.418123  0.433411  1
  Cu  Cu58  1  0.091920  0.725896  0.466869  1
  Cu  Cu59  1  0.069016  0.405355  0.450141  1
  Cu  Cu60  1  0.425254  0.392563  0.466869  1
  Cu  Cu61  1  0.046171  0.084790  0.433411  1
  Cu  Cu62  1  0.402349  0.072022  0.450141  1
  Cu  Cu63  1  0.379504  0.751456  0.433411  1
  Cu  Cu64  1  0.840810  0.240663  0.447564  1
  Cu  Cu65  1  0.817966  0.920101  0.430822  1
  Cu  Cu66  1  0.863677  0.561210  0.464284  1
  Cu  Cu67  1  0.174143  0.907330  0.447564  1
  Cu  Cu68  1  0.151300  0.586768  0.430822  1
  Cu  Cu69  1  0.507476  0.573997  0.447564  1
  Cu  Cu70  1  0.197010  0.227877  0.464284  1
  Cu  Cu71  1  0.484633  0.253434  0.430822  1
  Cu  Cu72  1  0.530343  0.894544  0.464284  1
  Cu  Cu73  1  0.827167  0.020901  0.517045  1
  Cu  Cu74  1  0.804302  0.700345  0.500315  1
  Cu  Cu75  1  0.781435  0.379795  0.483593  1
  Cu  Cu76  1  0.160500  0.687568  0.517045  1
  Cu  Cu77  1  0.137635  0.367012  0.500315  1
  Cu  Cu78  1  0.493833  0.354235  0.517045  1
  Cu  Cu79  1  0.114768  0.046462  0.483593  1
  Cu  Cu80  1  0.470969  0.033678  0.500315  1
  Cu  Cu81  1  0.448102  0.713128  0.483593  1
  Cu  Cu82  1  0.909402  0.202318  0.497737  1
  Cu  Cu83  1  0.886537  0.881761  0.481007  1
  Cu  Cu84  1  0.932269  0.522868  0.514459  1
  Cu  Cu85  1  0.242735  0.868984  0.497737  1
  Cu  Cu86  1  0.219870  0.548428  0.481007  1
  Cu  Cu87  1  0.576068  0.535651  0.497737  1
  Cu  Cu88  1  0.265602  0.189534  0.514459  1
  Cu  Cu89  1  0.553204  0.215095  0.481007  1
  Cu  Cu90  1  0.598935  0.856201  0.514459  1
  Cu  Cu91  1  0.895737  0.982562  0.567230  1
  Cu  Cu92  1  0.872894  0.661999  0.550488  1
  Cu  Cu93  1  0.850027  0.341452  0.533768  1
  Cu  Cu94  1  0.229071  0.649228  0.567230  1
  Cu  Cu95  1  0.206227  0.328666  0.550488  1
  Cu  Cu96  1  0.562404  0.315895  0.567230  1
  Cu  Cu97  1  0.183360  0.008119  0.533768  1
  Cu  Cu98  1  0.539561  0.995333  0.550488  1
  Cu  Cu99  1  0.516694  0.674785  0.533768  1
  Cu  Cu100  1  0.978021  0.163974  0.547911  1
  Cu  Cu101  1  0.955117  0.843433  0.531183  1
  Cu  Cu102  1  1.000866  0.484540  0.564641  1
  Cu  Cu103  1  0.311354  0.830640  0.547911  1
  Cu  Cu104  1  0.288450  0.510100  0.531183  1
  Cu  Cu105  1  0.644688  0.497307  0.547911  1
  Cu  Cu106  1  0.334200  0.151206  0.564641  1
  Cu  Cu107  1  0.621783  0.176767  0.531183  1
  Cu  Cu108  1  0.667533  0.817873  0.564641  1
  Cu  Cu109  1  0.964117  0.944147  0.617384  1
  Cu  Cu110  1  0.941300  0.623647  0.600681  1
  Cu  Cu111  1  0.918633  0.303131  0.583938  1
  Cu  Cu112  1  0.297450  0.610813  0.617384  1
  Cu  Cu113  1  0.274633  0.290314  0.600681  1
  Cu  Cu114  1  0.630783  0.277480  0.617384  1
  Cu  Cu115  1  0.251966  0.969798  0.583938  1
  Cu  Cu116  1  0.607967  0.956981  0.600681  1
  Cu  Cu117  1  0.585299  0.636464  0.583938  1
  Cu  Cu118  1  0.046686  0.125654  0.598090  1
  Cu  Cu119  1  0.023747  0.805072  0.581339  1
  Cu  Cu120  1  0.069647  0.446305  0.614822  1
  Cu  Cu121  1  0.380020  0.792321  0.598090  1
  Cu  Cu122  1  0.357080  0.471738  0.581339  1
  Cu  Cu123  1  0.713353  0.458988  0.598090  1
  Cu  Cu124  1  0.402980  0.112971  0.614822  1
  Cu  Cu125  1  0.690413  0.138405  0.581339  1
  Cu  Cu126  1  0.736313  0.779638  0.614822  1
  Cu  Cu127  1  0.031968  0.905242  0.667186  1
  Cu  Cu128  1  0.008486  0.585527  0.650925  1
  Cu  Cu129  1  0.986772  0.265019  0.634136  1
  Cu  Cu130  1  0.365301  0.571909  0.667186  1
  Cu  Cu131  1  0.341819  0.252193  0.650925  1
  Cu  Cu132  1  0.698635  0.238575  0.667186  1
  Cu  Cu133  1  0.320105  0.931686  0.634136  1
  Cu  Cu134  1  0.675153  0.918860  0.650925  1
  Cu  Cu135  1  0.653438  0.598353  0.634136  1
  Cu  Cu136  1  0.115273  0.087567  0.648234  1
  Cu  Cu137  1  0.092943  0.766504  0.631478  1
  Cu  Cu138  1  0.139075  0.408280  0.664807  1
  Cu  Cu139  1  0.448606  0.754233  0.648234  1
  Cu  Cu140  1  0.426277  0.433171  0.631478  1
  Cu  Cu141  1  0.781940  0.420900  0.648234  1
  Cu  Cu142  1  0.472408  0.074947  0.664807  1
  Cu  Cu143  1  0.759610  0.099838  0.631478  1
  Cu  Cu144  1  0.805741  0.741613  0.664807  1
  Cu  Cu145  1  0.094032  0.869687  0.715167  1
  Cu  Cu146  1  0.074647  0.547290  0.700043  1
  Cu  Cu147  1  0.054639  0.226641  0.684093  1
  Cu  Cu148  1  0.427366  0.536354  0.715167  1
  Cu  Cu149  1  0.407980  0.213957  0.700043  1
  Cu  Cu150  1  0.760699  0.203021  0.715167  1
  Cu  Cu151  1  0.387973  0.893308  0.684093  1
  Cu  Cu152  1  0.741313  0.880624  0.700043  1
  Cu  Cu153  1  0.721306  0.559975  0.684093  1
  Cu  Cu154  1  0.184069  0.049598  0.697397  1
  Cu  Cu155  1  0.163344  0.727356  0.681649  1
  Cu  Cu156  1  0.207512  0.371510  0.712872  1
  Cu  Cu157  1  0.517403  0.716265  0.697397  1
  Cu  Cu158  1  0.496678  0.394023  0.681649  1
  Cu  Cu159  1  0.850736  0.382931  0.697397  1
  Cu  Cu160  1  0.540846  0.038176  0.712872  1
  Cu  Cu161  1  0.830011  0.060690  0.681649  1
  Cu  Cu162  1  0.874179  0.704843  0.712872  1
