# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.15281610
_cell_length_b   12.49993034
_cell_length_c   45.91806897
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.92886604
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu198
_cell_volume   5201.42812632
_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  0.966753  0.585893  0.310321  1
  Cu  Cu2  1  0.300086  0.252560  0.310321  1
  Cu  Cu3  1  0.413601  0.603736  0.285918  1
  Cu  Cu4  1  0.633419  0.919226  0.310321  1
  Cu  Cu5  1  0.746934  0.270402  0.285918  1
  Cu  Cu6  1  0.689802  0.590320  0.296989  1
  Cu  Cu7  1  0.080268  0.937069  0.285918  1
  Cu  Cu8  1  0.023135  0.256986  0.296989  1
  Cu  Cu9  1  0.356469  0.923653  0.296989  1
  Cu  Cu10  1  0.098123  0.750202  0.306351  1
  Cu  Cu11  1  0.431456  0.416869  0.306351  1
  Cu  Cu12  1  0.542605  0.767711  0.283402  1
  Cu  Cu13  1  0.764789  0.083536  0.306351  1
  Cu  Cu14  1  0.875938  0.434378  0.283402  1
  Cu  Cu15  1  0.819169  0.761451  0.294693  1
  Cu  Cu16  1  0.209271  0.101045  0.283402  1
  Cu  Cu17  1  0.152503  0.428118  0.294693  1
  Cu  Cu18  1  0.485836  0.094784  0.294693  1
  Cu  Cu19  1  0.780051  0.563386  0.350464  1
  Cu  Cu20  1  0.113384  0.230052  0.350464  1
  Cu  Cu21  1  0.236814  0.575597  0.324753  1
  Cu  Cu22  1  0.446718  0.896719  0.350464  1
  Cu  Cu23  1  0.570147  0.242264  0.324753  1
  Cu  Cu24  1  0.507143  0.570573  0.337796  1
  Cu  Cu25  1  0.903480  0.908930  0.324753  1
  Cu  Cu26  1  0.840476  0.237240  0.337796  1
  Cu  Cu27  1  0.173809  0.903906  0.337796  1
  Cu  Cu28  1  0.903792  0.730331  0.347935  1
  Cu  Cu29  1  0.237125  0.396997  0.347935  1
  Cu  Cu30  1  0.359497  0.746980  0.322773  1
  Cu  Cu31  1  0.570459  0.063664  0.347935  1
  Cu  Cu32  1  0.692831  0.413646  0.322773  1
  Cu  Cu33  1  0.632626  0.737598  0.335154  1
  Cu  Cu34  1  0.026164  0.080313  0.322773  1
  Cu  Cu35  1  0.965959  0.404265  0.335154  1
  Cu  Cu36  1  0.299293  0.070932  0.335154  1
  Cu  Cu37  1  0.591248  0.541170  0.390697  1
  Cu  Cu38  1  0.924581  0.207837  0.390697  1
  Cu  Cu39  1  0.049445  0.554976  0.364041  1
  Cu  Cu40  1  0.257914  0.874504  0.390697  1
  Cu  Cu41  1  0.382778  0.221643  0.364041  1
  Cu  Cu42  1  0.319688  0.548721  0.377540  1
  Cu  Cu43  1  0.716112  0.888310  0.364041  1
  Cu  Cu44  1  0.653022  0.215388  0.377540  1
  Cu  Cu45  1  0.986355  0.882055  0.377540  1
  Cu  Cu46  1  0.714625  0.708802  0.388209  1
  Cu  Cu47  1  0.047959  0.375468  0.388209  1
  Cu  Cu48  1  0.170986  0.723986  0.361561  1
  Cu  Cu49  1  0.381292  0.042135  0.388209  1
  Cu  Cu50  1  0.504319  0.390652  0.361561  1
  Cu  Cu51  1  0.443246  0.716831  0.375134  1
  Cu  Cu52  1  0.837653  0.057319  0.361561  1
  Cu  Cu53  1  0.776580  0.383498  0.375134  1
  Cu  Cu54  1  0.109913  0.050165  0.375134  1
  Cu  Cu55  1  0.403005  0.519479  0.430811  1
  Cu  Cu56  1  0.736339  0.186146  0.430811  1
  Cu  Cu57  1  0.861976  0.533770  0.404091  1
  Cu  Cu58  1  0.069672  0.852812  0.430811  1
  Cu  Cu59  1  0.195309  0.200436  0.404091  1
  Cu  Cu60  1  0.132285  0.526568  0.417491  1
  Cu  Cu61  1  0.528642  0.867103  0.404091  1
  Cu  Cu62  1  0.465619  0.193235  0.417491  1
  Cu  Cu63  1  0.798952  0.859902  0.417491  1
  Cu  Cu64  1  0.526156  0.687334  0.428342  1
  Cu  Cu65  1  0.859490  0.354001  0.428342  1
  Cu  Cu66  1  0.984592  0.701809  0.401566  1
  Cu  Cu67  1  0.192823  0.020668  0.428342  1
  Cu  Cu68  1  0.317925  0.368476  0.401566  1
  Cu  Cu69  1  0.255040  0.694854  0.415013  1
  Cu  Cu70  1  0.651259  0.035143  0.401566  1
  Cu  Cu71  1  0.588374  0.361520  0.415013  1
  Cu  Cu72  1  0.921707  0.028187  0.415013  1
  Cu  Cu73  1  0.215056  0.497702  0.470878  1
  Cu  Cu74  1  0.548390  0.164369  0.470878  1
  Cu  Cu75  1  0.673836  0.512121  0.444147  1
  Cu  Cu76  1  0.881723  0.831035  0.470878  1
  Cu  Cu77  1  0.007170  0.178788  0.444147  1
  Cu  Cu78  1  0.944429  0.504880  0.457532  1
  Cu  Cu79  1  0.340503  0.845455  0.444147  1
  Cu  Cu80  1  0.277762  0.171547  0.457532  1
  Cu  Cu81  1  0.611096  0.838213  0.457532  1
  Cu  Cu82  1  0.337988  0.665705  0.468393  1
  Cu  Cu83  1  0.671321  0.332372  0.468393  1
  Cu  Cu84  1  0.796733  0.680105  0.441667  1
  Cu  Cu85  1  0.004655  0.999038  0.468393  1
  Cu  Cu86  1  0.130066  0.346772  0.441667  1
  Cu  Cu87  1  0.067248  0.672974  0.455035  1
  Cu  Cu88  1  0.463399  0.013438  0.441667  1
  Cu  Cu89  1  0.400581  0.339641  0.455035  1
  Cu  Cu90  1  0.733915  0.006307  0.455035  1
  Cu  Cu91  1  0.027051  0.475996  0.510934  1
  Cu  Cu92  1  0.360384  0.142662  0.510934  1
  Cu  Cu93  1  0.485774  0.490431  0.484215  1
  Cu  Cu94  1  0.693718  0.809329  0.510934  1
  Cu  Cu95  1  0.819108  0.157097  0.484215  1
  Cu  Cu96  1  0.756438  0.483180  0.497576  1
  Cu  Cu97  1  0.152441  0.823764  0.484215  1
  Cu  Cu98  1  0.089772  0.149847  0.497576  1
  Cu  Cu99  1  0.423105  0.816514  0.497576  1
  Cu  Cu100  1  0.149978  0.643984  0.508453  1
  Cu  Cu101  1  0.483311  0.310651  0.508453  1
  Cu  Cu102  1  0.608701  0.658419  0.481734  1
  Cu  Cu103  1  0.816644  0.977318  0.508453  1
  Cu  Cu104  1  0.942034  0.325086  0.481734  1
  Cu  Cu105  1  0.879314  0.651235  0.495092  1
  Cu  Cu106  1  0.275368  0.991753  0.481734  1
  Cu  Cu107  1  0.212647  0.317901  0.495092  1
  Cu  Cu108  1  0.545980  0.984568  0.495092  1
  Cu  Cu109  1  0.839019  0.454310  0.551001  1
  Cu  Cu110  1  0.172352  0.120977  0.551001  1
  Cu  Cu111  1  0.297764  0.468710  0.524275  1
  Cu  Cu112  1  0.505686  0.787643  0.551001  1
  Cu  Cu113  1  0.631097  0.135376  0.524275  1
  Cu  Cu114  1  0.568504  0.461441  0.537633  1
  Cu  Cu115  1  0.964431  0.802043  0.524275  1
  Cu  Cu116  1  0.901837  0.128108  0.537633  1
  Cu  Cu117  1  0.235171  0.794774  0.537633  1
  Cu  Cu118  1  0.961916  0.622294  0.548521  1
  Cu  Cu119  1  0.295249  0.288960  0.548521  1
  Cu  Cu120  1  0.420696  0.636713  0.521790  1
  Cu  Cu121  1  0.628582  0.955627  0.548521  1
  Cu  Cu122  1  0.754029  0.303380  0.521790  1
  Cu  Cu123  1  0.691323  0.629535  0.535136  1
  Cu  Cu124  1  0.087362  0.970046  0.521790  1
  Cu  Cu125  1  0.024656  0.296202  0.535136  1
  Cu  Cu126  1  0.357990  0.962868  0.535136  1
  Cu  Cu127  1  0.651160  0.432606  0.591102  1
  Cu  Cu128  1  0.984493  0.099272  0.591102  1
  Cu  Cu129  1  0.109596  0.447081  0.564326  1
  Cu  Cu130  1  0.317827  0.765939  0.591102  1
  Cu  Cu131  1  0.442929  0.113747  0.564326  1
  Cu  Cu132  1  0.380711  0.439561  0.577655  1
  Cu  Cu133  1  0.776262  0.780414  0.564326  1
  Cu  Cu134  1  0.714045  0.106228  0.577655  1
  Cu  Cu135  1  0.047378  0.772895  0.577655  1
  Cu  Cu136  1  0.773776  0.600645  0.588577  1
  Cu  Cu137  1  0.107110  0.267312  0.588577  1
  Cu  Cu138  1  0.232747  0.614936  0.561857  1
  Cu  Cu139  1  0.440443  0.933979  0.588577  1
  Cu  Cu140  1  0.566080  0.281603  0.561857  1
  Cu  Cu141  1  0.503467  0.607847  0.575177  1
  Cu  Cu142  1  0.899413  0.948269  0.561857  1
  Cu  Cu143  1  0.836800  0.274513  0.575177  1
  Cu  Cu144  1  0.170133  0.941180  0.575177  1
  Cu  Cu145  1  0.464766  0.410429  0.631107  1
  Cu  Cu146  1  0.798099  0.077096  0.631107  1
  Cu  Cu147  1  0.921127  0.425613  0.604459  1
  Cu  Cu148  1  0.131433  0.743763  0.631107  1
  Cu  Cu149  1  0.254460  0.092280  0.604459  1
  Cu  Cu150  1  0.192506  0.417584  0.617534  1
  Cu  Cu151  1  0.587793  0.758946  0.604459  1
  Cu  Cu152  1  0.525839  0.084250  0.617534  1
  Cu  Cu153  1  0.859172  0.750917  0.617534  1
  Cu  Cu154  1  0.586307  0.579439  0.628627  1
  Cu  Cu155  1  0.919640  0.246105  0.628627  1
  Cu  Cu156  1  0.044504  0.593245  0.601971  1
  Cu  Cu157  1  0.252974  0.912772  0.628627  1
  Cu  Cu158  1  0.377838  0.259911  0.601971  1
  Cu  Cu159  1  0.316064  0.585694  0.615128  1
  Cu  Cu160  1  0.711171  0.926578  0.601971  1
  Cu  Cu161  1  0.649397  0.252360  0.615128  1
  Cu  Cu162  1  0.982730  0.919027  0.615128  1
  Cu  Cu163  1  0.276255  0.387435  0.669895  1
  Cu  Cu164  1  0.609588  0.054102  0.669895  1
  Cu  Cu165  1  0.731960  0.404084  0.644732  1
  Cu  Cu166  1  0.942921  0.720769  0.669895  1
  Cu  Cu167  1  0.065293  0.070751  0.644732  1
  Cu  Cu168  1  0.003126  0.396816  0.657514  1
  Cu  Cu169  1  0.398627  0.737418  0.644732  1
  Cu  Cu170  1  0.336459  0.063483  0.657514  1
  Cu  Cu171  1  0.669793  0.730150  0.657514  1
  Cu  Cu172  1  0.398938  0.558818  0.667915  1
  Cu  Cu173  1  0.732272  0.225485  0.667915  1
  Cu  Cu174  1  0.855701  0.571029  0.642204  1
  Cu  Cu175  1  0.065605  0.892151  0.667915  1
  Cu  Cu176  1  0.189034  0.237696  0.642204  1
  Cu  Cu177  1  0.128609  0.563842  0.654872  1
  Cu  Cu178  1  0.522368  0.904362  0.642204  1
  Cu  Cu179  1  0.461943  0.230509  0.654872  1
  Cu  Cu180  1  0.795276  0.897175  0.654872  1
  Cu  Cu181  1  0.093147  0.366704  0.709266  1
  Cu  Cu182  1  0.426480  0.033370  0.709266  1
  Cu  Cu183  1  0.537629  0.384213  0.686317  1
  Cu  Cu184  1  0.759814  0.700037  0.709266  1
  Cu  Cu185  1  0.870963  0.050879  0.686317  1
  Cu  Cu186  1  0.816582  0.372964  0.697975  1
  Cu  Cu187  1  0.204296  0.717546  0.686317  1
  Cu  Cu188  1  0.149916  0.039631  0.697975  1
  Cu  Cu189  1  0.483249  0.706297  0.697975  1
  Cu  Cu190  1  0.222151  0.530679  0.706750  1
  Cu  Cu191  1  0.555484  0.197346  0.706750  1
  Cu  Cu192  1  0.668999  0.548522  0.682347  1
  Cu  Cu193  1  0.888817  0.864013  0.706750  1
  Cu  Cu194  1  1.002333  0.215188  0.682347  1
  Cu  Cu195  1  0.945950  0.544095  0.695679  1
  Cu  Cu196  1  0.335666  0.881855  0.682347  1
  Cu  Cu197  1  0.279283  0.210762  0.695679  1
  Cu  Cu198  1  0.612617  0.877428  0.695679  1
