# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.15914062
_cell_length_b   12.74001999
_cell_length_c   45.74913104
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.02511155
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu198
_cell_volume   5286.73047238
_cell_formula_units_Z   198
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  0.965665  0.584750  0.311982  1
  Cu  Cu2  1  0.298999  0.251417  0.311982  1
  Cu  Cu3  1  0.421205  0.599975  0.287103  1
  Cu  Cu4  1  0.632332  0.918083  0.311982  1
  Cu  Cu5  1  0.754539  0.266642  0.287103  1
  Cu  Cu6  1  0.693079  0.590972  0.298897  1
  Cu  Cu7  1  0.087872  0.933308  0.287103  1
  Cu  Cu8  1  0.026412  0.257638  0.298897  1
  Cu  Cu9  1  0.359746  0.924305  0.298897  1
  Cu  Cu10  1  0.092928  0.751589  0.309155  1
  Cu  Cu11  1  0.426261  0.418256  0.309155  1
  Cu  Cu12  1  0.544820  0.765661  0.284451  1
  Cu  Cu13  1  0.759595  0.084923  0.309155  1
  Cu  Cu14  1  0.878153  0.432328  0.284451  1
  Cu  Cu15  1  0.818628  0.759950  0.296704  1
  Cu  Cu16  1  0.211486  0.098994  0.284451  1
  Cu  Cu17  1  0.151962  0.426617  0.296704  1
  Cu  Cu18  1  0.485295  0.093283  0.296704  1
  Cu  Cu19  1  0.778651  0.563546  0.352170  1
  Cu  Cu20  1  0.111985  0.230212  0.352170  1
  Cu  Cu21  1  0.235731  0.576499  0.325864  1
  Cu  Cu22  1  0.445318  0.896879  0.352170  1
  Cu  Cu23  1  0.569064  0.243166  0.325864  1
  Cu  Cu24  1  0.506496  0.570882  0.339301  1
  Cu  Cu25  1  0.902397  0.909833  0.325864  1
  Cu  Cu26  1  0.839829  0.237548  0.339301  1
  Cu  Cu27  1  0.173163  0.904215  0.339301  1
  Cu  Cu28  1  0.902644  0.730951  0.349602  1
  Cu  Cu29  1  0.235977  0.397617  0.349602  1
  Cu  Cu30  1  0.359118  0.746332  0.323550  1
  Cu  Cu31  1  0.569310  0.064284  0.349602  1
  Cu  Cu32  1  0.692451  0.412999  0.323550  1
  Cu  Cu33  1  0.631291  0.738183  0.336571  1
  Cu  Cu34  1  0.025784  0.079666  0.323550  1
  Cu  Cu35  1  0.964624  0.404850  0.336571  1
  Cu  Cu36  1  0.297958  0.071517  0.336571  1
  Cu  Cu37  1  0.590338  0.542263  0.392379  1
  Cu  Cu38  1  0.923671  0.208929  0.392379  1
  Cu  Cu39  1  0.048761  0.555918  0.365635  1
  Cu  Cu40  1  0.257004  0.875596  0.392379  1
  Cu  Cu41  1  0.382095  0.222585  0.365635  1
  Cu  Cu42  1  0.319161  0.549282  0.379129  1
  Cu  Cu43  1  0.715428  0.889252  0.365635  1
  Cu  Cu44  1  0.652494  0.215949  0.379129  1
  Cu  Cu45  1  0.985827  0.882615  0.379129  1
  Cu  Cu46  1  0.713552  0.710033  0.389851  1
  Cu  Cu47  1  0.046885  0.376700  0.389851  1
  Cu  Cu48  1  0.171482  0.724257  0.363148  1
  Cu  Cu49  1  0.380218  0.043366  0.389851  1
  Cu  Cu50  1  0.504815  0.390924  0.363148  1
  Cu  Cu51  1  0.442418  0.717539  0.376670  1
  Cu  Cu52  1  0.838148  0.057590  0.363148  1
  Cu  Cu53  1  0.775751  0.384205  0.376670  1
  Cu  Cu54  1  0.109085  0.050872  0.376670  1
  Cu  Cu55  1  0.402140  0.521063  0.432425  1
  Cu  Cu56  1  0.735473  0.187729  0.432425  1
  Cu  Cu57  1  0.861014  0.535111  0.405705  1
  Cu  Cu58  1  0.068807  0.854396  0.432425  1
  Cu  Cu59  1  0.194347  0.201777  0.405705  1
  Cu  Cu60  1  0.131436  0.528041  0.419089  1
  Cu  Cu61  1  0.527681  0.868444  0.405705  1
  Cu  Cu62  1  0.464769  0.194708  0.419089  1
  Cu  Cu63  1  0.798103  0.861375  0.419089  1
  Cu  Cu64  1  0.525052  0.689003  0.429955  1
  Cu  Cu65  1  0.858386  0.355669  0.429955  1
  Cu  Cu66  1  0.983758  0.703028  0.403204  1
  Cu  Cu67  1  0.191719  0.022336  0.429955  1
  Cu  Cu68  1  0.317091  0.369695  0.403204  1
  Cu  Cu69  1  0.254191  0.696139  0.416612  1
  Cu  Cu70  1  0.650424  0.036362  0.403204  1
  Cu  Cu71  1  0.587525  0.362806  0.416612  1
  Cu  Cu72  1  0.920858  0.029473  0.416612  1
  Cu  Cu73  1  0.214024  0.499890  0.472463  1
  Cu  Cu74  1  0.547358  0.166557  0.472463  1
  Cu  Cu75  1  0.672851  0.513969  0.445758  1
  Cu  Cu76  1  0.880691  0.833224  0.472463  1
  Cu  Cu77  1  0.006184  0.180635  0.445758  1
  Cu  Cu78  1  0.943414  0.506923  0.459118  1
  Cu  Cu79  1  0.339517  0.847302  0.445758  1
  Cu  Cu80  1  0.276748  0.173589  0.459118  1
  Cu  Cu81  1  0.610081  0.840256  0.459118  1
  Cu  Cu82  1  0.336783  0.667857  0.469990  1
  Cu  Cu83  1  0.670116  0.334523  0.469990  1
  Cu  Cu84  1  0.795611  0.681928  0.443282  1
  Cu  Cu85  1  0.003449  1.001190  0.469990  1
  Cu  Cu86  1  0.128944  0.348595  0.443282  1
  Cu  Cu87  1  0.066131  0.674917  0.456638  1
  Cu  Cu88  1  0.462277  0.015262  0.443282  1
  Cu  Cu89  1  0.399464  0.341583  0.456638  1
  Cu  Cu90  1  0.732798  0.008250  0.456638  1
  Cu  Cu91  1  0.025866  0.478741  0.512501  1
  Cu  Cu92  1  0.359200  0.145408  0.512501  1
  Cu  Cu93  1  0.484674  0.492825  0.485803  1
  Cu  Cu94  1  0.692533  0.812074  0.512501  1
  Cu  Cu95  1  0.818007  0.159491  0.485803  1
  Cu  Cu96  1  0.755283  0.485768  0.499153  1
  Cu  Cu97  1  0.151340  0.826158  0.485803  1
  Cu  Cu98  1  0.088617  0.152435  0.499153  1
  Cu  Cu99  1  0.421950  0.819101  0.499153  1
  Cu  Cu100  1  0.148619  0.646702  0.510032  1
  Cu  Cu101  1  0.481952  0.313369  0.510032  1
  Cu  Cu102  1  0.607427  0.660786  0.483334  1
  Cu  Cu103  1  0.815286  0.980036  0.510032  1
  Cu  Cu104  1  0.940760  0.327453  0.483334  1
  Cu  Cu105  1  0.878010  0.653759  0.496682  1
  Cu  Cu106  1  0.274093  0.994119  0.483334  1
  Cu  Cu107  1  0.211343  0.320426  0.496682  1
  Cu  Cu108  1  0.544676  0.987093  0.496682  1
  Cu  Cu109  1  0.837682  0.457599  0.552553  1
  Cu  Cu110  1  0.171016  0.124265  0.552553  1
  Cu  Cu111  1  0.296510  0.471671  0.525845  1
  Cu  Cu112  1  0.504349  0.790932  0.552553  1
  Cu  Cu113  1  0.629844  0.138337  0.525845  1
  Cu  Cu114  1  0.567162  0.464610  0.539196  1
  Cu  Cu115  1  0.963177  0.805004  0.525845  1
  Cu  Cu116  1  0.900495  0.131277  0.539196  1
  Cu  Cu117  1  0.233829  0.797944  0.539196  1
  Cu  Cu118  1  0.960442  0.625558  0.550077  1
  Cu  Cu119  1  0.293775  0.292225  0.550077  1
  Cu  Cu120  1  0.419269  0.639637  0.523372  1
  Cu  Cu121  1  0.627109  0.958892  0.550077  1
  Cu  Cu122  1  0.752602  0.306303  0.523372  1
  Cu  Cu123  1  0.689879  0.632604  0.536717  1
  Cu  Cu124  1  0.085935  0.972970  0.523372  1
  Cu  Cu125  1  0.023212  0.299271  0.536717  1
  Cu  Cu126  1  0.356545  0.965938  0.536717  1
  Cu  Cu127  1  0.649535  0.436499  0.592631  1
  Cu  Cu128  1  0.982869  0.103165  0.592631  1
  Cu  Cu129  1  0.108241  0.450524  0.565879  1
  Cu  Cu130  1  0.316202  0.769832  0.592631  1
  Cu  Cu131  1  0.441574  0.117191  0.565879  1
  Cu  Cu132  1  0.379102  0.443388  0.579223  1
  Cu  Cu133  1  0.774907  0.783858  0.565879  1
  Cu  Cu134  1  0.712435  0.110054  0.579223  1
  Cu  Cu135  1  0.045768  0.776721  0.579223  1
  Cu  Cu136  1  0.772279  0.604416  0.590130  1
  Cu  Cu137  1  0.105612  0.271083  0.590130  1
  Cu  Cu138  1  0.231153  0.618465  0.563410  1
  Cu  Cu139  1  0.438946  0.937750  0.590130  1
  Cu  Cu140  1  0.564486  0.285131  0.563410  1
  Cu  Cu141  1  0.501857  0.611486  0.576746  1
  Cu  Cu142  1  0.897820  0.951798  0.563410  1
  Cu  Cu143  1  0.835190  0.278152  0.576746  1
  Cu  Cu144  1  0.168524  0.944819  0.576746  1
  Cu  Cu145  1  0.461811  0.415270  0.632687  1
  Cu  Cu146  1  0.795145  0.081937  0.632687  1
  Cu  Cu147  1  0.919741  0.429494  0.605984  1
  Cu  Cu148  1  0.128478  0.748603  0.632687  1
  Cu  Cu149  1  0.253075  0.096161  0.605984  1
  Cu  Cu150  1  0.190875  0.421989  0.619165  1
  Cu  Cu151  1  0.586408  0.762828  0.605984  1
  Cu  Cu152  1  0.524208  0.088655  0.619165  1
  Cu  Cu153  1  0.857542  0.755322  0.619165  1
  Cu  Cu154  1  0.584532  0.583609  0.630199  1
  Cu  Cu155  1  0.917865  0.250275  0.630199  1
  Cu  Cu156  1  0.042955  0.597264  0.603456  1
  Cu  Cu157  1  0.251198  0.916942  0.630199  1
  Cu  Cu158  1  0.376288  0.263931  0.603456  1
  Cu  Cu159  1  0.314132  0.590245  0.616706  1
  Cu  Cu160  1  0.709622  0.930598  0.603456  1
  Cu  Cu161  1  0.647465  0.256912  0.616706  1
  Cu  Cu162  1  0.980799  0.923578  0.616706  1
  Cu  Cu163  1  0.274175  0.393195  0.672285  1
  Cu  Cu164  1  0.607508  0.059862  0.672285  1
  Cu  Cu165  1  0.730649  0.408576  0.646233  1
  Cu  Cu166  1  0.940842  0.726528  0.672285  1
  Cu  Cu167  1  0.063983  0.075243  0.646233  1
  Cu  Cu168  1  1.002002  0.401344  0.659264  1
  Cu  Cu169  1  0.397316  0.741910  0.646233  1
  Cu  Cu170  1  0.335335  0.068010  0.659264  1
  Cu  Cu171  1  0.668669  0.734677  0.659264  1
  Cu  Cu172  1  0.397562  0.563028  0.669971  1
  Cu  Cu173  1  0.730896  0.229694  0.669971  1
  Cu  Cu174  1  0.854641  0.575981  0.643665  1
  Cu  Cu175  1  0.064229  0.896361  0.669971  1
  Cu  Cu176  1  0.187975  0.242648  0.643665  1
  Cu  Cu177  1  0.126797  0.568645  0.656534  1
  Cu  Cu178  1  0.521308  0.909315  0.643665  1
  Cu  Cu179  1  0.460130  0.235312  0.656534  1
  Cu  Cu180  1  0.793463  0.901979  0.656534  1
  Cu  Cu181  1  0.088473  0.373866  0.711384  1
  Cu  Cu182  1  0.421806  0.040533  0.711384  1
  Cu  Cu183  1  0.540365  0.387938  0.686680  1
  Cu  Cu184  1  0.755140  0.707199  0.711384  1
  Cu  Cu185  1  0.873698  0.054604  0.686680  1
  Cu  Cu186  1  0.814665  0.379577  0.699131  1
  Cu  Cu187  1  0.207031  0.721271  0.686680  1
  Cu  Cu188  1  0.147998  0.046244  0.699131  1
  Cu  Cu189  1  0.481331  0.712910  0.699131  1
  Cu  Cu190  1  0.212088  0.539552  0.708732  1
  Cu  Cu191  1  0.545421  0.206219  0.708732  1
  Cu  Cu192  1  0.667628  0.554777  0.683853  1
  Cu  Cu193  1  0.878754  0.872886  0.708732  1
  Cu  Cu194  1  1.000961  0.221444  0.683853  1
  Cu  Cu195  1  0.940214  0.548556  0.696938  1
  Cu  Cu196  1  0.334294  0.888111  0.683853  1
  Cu  Cu197  1  0.273547  0.215222  0.696938  1
  Cu  Cu198  1  0.606881  0.881889  0.696938  1
