# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.19055431
_cell_length_b   11.24812902
_cell_length_c   46.63996809
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.92593501
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu216
_cell_volume   5603.5926077
_cell_formula_units_Z   216
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  0.078217  0.933932  0.294637  1
  Cu  Cu2  1  0.744883  0.933932  0.294637  1
  Cu  Cu3  1  0.678465  0.463835  0.283490  1
  Cu  Cu4  1  0.411550  0.933932  0.294637  1
  Cu  Cu5  1  0.345132  0.463835  0.283490  1
  Cu  Cu6  1  0.011798  0.463835  0.283490  1
  Cu  Cu7  1  0.492051  0.199569  0.289439  1
  Cu  Cu8  1  0.158718  0.199569  0.289439  1
  Cu  Cu9  1  0.088753  0.727492  0.278096  1
  Cu  Cu10  1  0.825385  0.199569  0.289439  1
  Cu  Cu11  1  0.755419  0.727492  0.278096  1
  Cu  Cu12  1  0.422086  0.727492  0.278096  1
  Cu  Cu13  1  0.885549  0.878215  0.319322  1
  Cu  Cu14  1  0.552216  0.878215  0.319322  1
  Cu  Cu15  1  0.482290  0.405271  0.306577  1
  Cu  Cu16  1  0.218882  0.878215  0.319322  1
  Cu  Cu17  1  0.148957  0.405271  0.306577  1
  Cu  Cu18  1  0.815623  0.405271  0.306577  1
  Cu  Cu19  1  0.296161  0.140229  0.312434  1
  Cu  Cu20  1  0.962827  0.140229  0.312434  1
  Cu  Cu21  1  0.893633  0.668513  0.300870  1
  Cu  Cu22  1  0.629494  0.140229  0.312434  1
  Cu  Cu23  1  0.560300  0.668513  0.300870  1
  Cu  Cu24  1  0.226966  0.668513  0.300870  1
  Cu  Cu25  1  0.689214  0.817902  0.344073  1
  Cu  Cu26  1  0.355881  0.817902  0.344073  1
  Cu  Cu27  1  0.287070  0.346615  0.332222  1
  Cu  Cu28  1  0.022547  0.817902  0.344073  1
  Cu  Cu29  1  0.953736  0.346615  0.332222  1
  Cu  Cu30  1  0.620403  0.346615  0.332222  1
  Cu  Cu31  1  0.100972  0.082450  0.338252  1
  Cu  Cu32  1  0.767638  0.082450  0.338252  1
  Cu  Cu33  1  0.698020  0.611101  0.326348  1
  Cu  Cu34  1  0.434305  0.082450  0.338252  1
  Cu  Cu35  1  0.364686  0.611101  0.326348  1
  Cu  Cu36  1  0.031353  0.611101  0.326348  1
  Cu  Cu37  1  0.494175  0.760402  0.369257  1
  Cu  Cu38  1  0.160841  0.760402  0.369257  1
  Cu  Cu39  1  0.091363  0.288353  0.356454  1
  Cu  Cu40  1  0.827508  0.760402  0.369257  1
  Cu  Cu41  1  0.758030  0.288353  0.356454  1
  Cu  Cu42  1  0.424697  0.288353  0.356454  1
  Cu  Cu43  1  0.905023  0.024818  0.362860  1
  Cu  Cu44  1  0.571689  0.024818  0.362860  1
  Cu  Cu45  1  0.502214  0.552741  0.350529  1
  Cu  Cu46  1  0.238356  0.024818  0.362860  1
  Cu  Cu47  1  0.168881  0.552741  0.350529  1
  Cu  Cu48  1  0.835548  0.552741  0.350529  1
  Cu  Cu49  1  0.298034  0.701518  0.394275  1
  Cu  Cu50  1  0.964700  0.701518  0.394275  1
  Cu  Cu51  1  0.895860  0.230477  0.381949  1
  Cu  Cu52  1  0.631367  0.701518  0.394275  1
  Cu  Cu53  1  0.562527  0.230477  0.381949  1
  Cu  Cu54  1  0.229193  0.230477  0.381949  1
  Cu  Cu55  1  0.709100  0.965919  0.388078  1
  Cu  Cu56  1  0.375767  0.965919  0.388078  1
  Cu  Cu57  1  0.306550  0.494765  0.375829  1
  Cu  Cu58  1  0.042433  0.965919  0.388078  1
  Cu  Cu59  1  0.973216  0.494765  0.375829  1
  Cu  Cu60  1  0.639883  0.494765  0.375829  1
  Cu  Cu61  1  0.102421  0.643463  0.419418  1
  Cu  Cu62  1  0.769088  0.643463  0.419418  1
  Cu  Cu63  1  0.700212  0.172383  0.406825  1
  Cu  Cu64  1  0.435754  0.643463  0.419418  1
  Cu  Cu65  1  0.366879  0.172383  0.406825  1
  Cu  Cu66  1  0.033546  0.172383  0.406825  1
  Cu  Cu67  1  0.513457  0.908003  0.413115  1
  Cu  Cu68  1  0.180123  0.908003  0.413115  1
  Cu  Cu69  1  0.111044  0.436594  0.400630  1
  Cu  Cu70  1  0.846790  0.908003  0.413115  1
  Cu  Cu71  1  0.777710  0.436594  0.400630  1
  Cu  Cu72  1  0.444377  0.436594  0.400630  1
  Cu  Cu73  1  0.906564  0.585132  0.444462  1
  Cu  Cu74  1  0.573231  0.585132  0.444462  1
  Cu  Cu75  1  0.504390  0.114106  0.431990  1
  Cu  Cu76  1  0.239897  0.585132  0.444462  1
  Cu  Cu77  1  0.171057  0.114106  0.431990  1
  Cu  Cu78  1  0.837723  0.114106  0.431990  1
  Cu  Cu79  1  0.317660  0.849622  0.438216  1
  Cu  Cu80  1  0.984326  0.849622  0.438216  1
  Cu  Cu81  1  0.915432  0.378623  0.425810  1
  Cu  Cu82  1  0.650993  0.849622  0.438216  1
  Cu  Cu83  1  0.582098  0.378623  0.425810  1
  Cu  Cu84  1  0.248765  0.378623  0.425810  1
  Cu  Cu85  1  0.710872  0.527006  0.469564  1
  Cu  Cu86  1  0.377538  0.527006  0.469564  1
  Cu  Cu87  1  0.308692  0.055998  0.457023  1
  Cu  Cu88  1  0.044205  0.527006  0.469564  1
  Cu  Cu89  1  0.975359  0.055998  0.457023  1
  Cu  Cu90  1  0.642025  0.055998  0.457023  1
  Cu  Cu91  1  0.121936  0.791508  0.463290  1
  Cu  Cu92  1  0.788603  0.791508  0.463290  1
  Cu  Cu93  1  0.719714  0.320441  0.450789  1
  Cu  Cu94  1  0.455270  0.791508  0.463290  1
  Cu  Cu95  1  0.386381  0.320441  0.450789  1
  Cu  Cu96  1  0.053048  0.320441  0.450789  1
  Cu  Cu97  1  0.515096  0.468775  0.494624  1
  Cu  Cu98  1  0.181763  0.468775  0.494624  1
  Cu  Cu99  1  0.112910  0.997758  0.482115  1
  Cu  Cu100  1  0.848429  0.468775  0.494624  1
  Cu  Cu101  1  0.779576  0.997758  0.482115  1
  Cu  Cu102  1  0.446243  0.997758  0.482115  1
  Cu  Cu103  1  0.926171  0.733269  0.488373  1
  Cu  Cu104  1  0.592838  0.733269  0.488373  1
  Cu  Cu105  1  0.523983  0.262274  0.475880  1
  Cu  Cu106  1  0.259504  0.733269  0.488373  1
  Cu  Cu107  1  0.190650  0.262274  0.475880  1
  Cu  Cu108  1  0.857317  0.262274  0.475880  1
  Cu  Cu109  1  0.319365  0.410614  0.519679  1
  Cu  Cu110  1  0.986032  0.410614  0.519679  1
  Cu  Cu111  1  0.917177  0.939619  0.507186  1
  Cu  Cu112  1  0.652698  0.410614  0.519679  1
  Cu  Cu113  1  0.583844  0.939619  0.507186  1
  Cu  Cu114  1  0.250511  0.939619  0.507186  1
  Cu  Cu115  1  0.730439  0.675130  0.513444  1
  Cu  Cu116  1  0.397105  0.675130  0.513444  1
  Cu  Cu117  1  0.328252  0.204113  0.500935  1
  Cu  Cu118  1  0.063772  0.675130  0.513444  1
  Cu  Cu119  1  0.994919  0.204113  0.500935  1
  Cu  Cu120  1  0.661586  0.204113  0.500935  1
  Cu  Cu121  1  0.123634  0.352447  0.544770  1
  Cu  Cu122  1  0.790300  0.352447  0.544770  1
  Cu  Cu123  1  0.721412  0.881380  0.532269  1
  Cu  Cu124  1  0.456967  0.352447  0.544770  1
  Cu  Cu125  1  0.388079  0.881380  0.532269  1
  Cu  Cu126  1  0.054745  0.881380  0.532269  1
  Cu  Cu127  1  0.534656  0.616890  0.538536  1
  Cu  Cu128  1  0.201323  0.616890  0.538536  1
  Cu  Cu129  1  0.132477  0.145882  0.525995  1
  Cu  Cu130  1  0.867989  0.616890  0.538536  1
  Cu  Cu131  1  0.799143  0.145882  0.525995  1
  Cu  Cu132  1  0.465810  0.145882  0.525995  1
  Cu  Cu133  1  0.927917  0.294266  0.569750  1
  Cu  Cu134  1  0.594583  0.294266  0.569750  1
  Cu  Cu135  1  0.525688  0.823267  0.557343  1
  Cu  Cu136  1  0.261250  0.294266  0.569750  1
  Cu  Cu137  1  0.192355  0.823267  0.557343  1
  Cu  Cu138  1  0.859022  0.823267  0.557343  1
  Cu  Cu139  1  0.338958  0.558783  0.563569  1
  Cu  Cu140  1  0.005625  0.558783  0.563569  1
  Cu  Cu141  1  0.936784  0.087756  0.551097  1
  Cu  Cu142  1  0.672292  0.558783  0.563569  1
  Cu  Cu143  1  0.603451  0.087756  0.551097  1
  Cu  Cu144  1  0.270118  0.087756  0.551097  1
  Cu  Cu145  1  0.732304  0.236295  0.594929  1
  Cu  Cu146  1  0.398971  0.236295  0.594929  1
  Cu  Cu147  1  0.329892  0.764885  0.582444  1
  Cu  Cu148  1  0.065638  0.236295  0.594929  1
  Cu  Cu149  1  0.996558  0.764885  0.582444  1
  Cu  Cu150  1  0.663225  0.764885  0.582444  1
  Cu  Cu151  1  0.143136  0.500506  0.588735  1
  Cu  Cu152  1  0.809803  0.500506  0.588735  1
  Cu  Cu153  1  0.740927  0.029426  0.576142  1
  Cu  Cu154  1  0.476469  0.500506  0.588735  1
  Cu  Cu155  1  0.407594  0.029426  0.576142  1
  Cu  Cu156  1  0.074261  0.029426  0.576142  1
  Cu  Cu157  1  0.536799  0.178123  0.619730  1
  Cu  Cu158  1  0.203465  0.178123  0.619730  1
  Cu  Cu159  1  0.134248  0.706969  0.607481  1
  Cu  Cu160  1  0.870132  0.178123  0.619730  1
  Cu  Cu161  1  0.800915  0.706969  0.607481  1
  Cu  Cu162  1  0.467581  0.706969  0.607481  1
  Cu  Cu163  1  0.947488  0.442412  0.613610  1
  Cu  Cu164  1  0.614155  0.442412  0.613610  1
  Cu  Cu165  1  0.545315  0.971370  0.601284  1
  Cu  Cu166  1  0.280822  0.442412  0.613610  1
  Cu  Cu167  1  0.211981  0.971370  0.601284  1
  Cu  Cu168  1  0.878648  0.971370  0.601284  1
  Cu  Cu169  1  0.341134  0.120148  0.645030  1
  Cu  Cu170  1  0.007800  0.120148  0.645030  1
  Cu  Cu171  1  0.938326  0.648070  0.632699  1
  Cu  Cu172  1  0.674467  0.120148  0.645030  1
  Cu  Cu173  1  0.604992  0.648070  0.632699  1
  Cu  Cu174  1  0.271659  0.648070  0.632699  1
  Cu  Cu175  1  0.751985  0.384535  0.639105  1
  Cu  Cu176  1  0.418652  0.384535  0.639105  1
  Cu  Cu177  1  0.349174  0.912486  0.626302  1
  Cu  Cu178  1  0.085318  0.384535  0.639105  1
  Cu  Cu179  1  0.015840  0.912486  0.626302  1
  Cu  Cu180  1  0.682507  0.912486  0.626302  1
  Cu  Cu181  1  0.145329  0.061787  0.669211  1
  Cu  Cu182  1  0.811995  0.061787  0.669211  1
  Cu  Cu183  1  0.742377  0.590439  0.657307  1
  Cu  Cu184  1  0.478662  0.061787  0.669211  1
  Cu  Cu185  1  0.409043  0.590439  0.657307  1
  Cu  Cu186  1  0.075710  0.590439  0.657307  1
  Cu  Cu187  1  0.556279  0.326274  0.663337  1
  Cu  Cu188  1  0.222945  0.326274  0.663337  1
  Cu  Cu189  1  0.154134  0.854986  0.651486  1
  Cu  Cu190  1  0.889612  0.326274  0.663337  1
  Cu  Cu191  1  0.820801  0.854986  0.651486  1
  Cu  Cu192  1  0.487467  0.854986  0.651486  1
  Cu  Cu193  1  0.949715  0.004375  0.694689  1
  Cu  Cu194  1  0.616382  0.004375  0.694689  1
  Cu  Cu195  1  0.547188  0.532659  0.683125  1
  Cu  Cu196  1  0.283048  0.004375  0.694689  1
  Cu  Cu197  1  0.213854  0.532659  0.683125  1
  Cu  Cu198  1  0.880521  0.532659  0.683125  1
  Cu  Cu199  1  0.361058  0.267617  0.688982  1
  Cu  Cu200  1  0.027725  0.267617  0.688982  1
  Cu  Cu201  1  0.957799  0.794673  0.676237  1
  Cu  Cu202  1  0.694392  0.267617  0.688982  1
  Cu  Cu203  1  0.624466  0.794673  0.676237  1
  Cu  Cu204  1  0.291133  0.794673  0.676237  1
  Cu  Cu205  1  0.754596  0.945397  0.717463  1
  Cu  Cu206  1  0.421262  0.945397  0.717463  1
  Cu  Cu207  1  0.351297  0.473320  0.706120  1
  Cu  Cu208  1  0.087929  0.945397  0.717463  1
  Cu  Cu209  1  0.017964  0.473320  0.706120  1
  Cu  Cu210  1  0.684630  0.473320  0.706120  1
  Cu  Cu211  1  0.164883  0.209053  0.712070  1
  Cu  Cu212  1  0.831550  0.209053  0.712070  1
  Cu  Cu213  1  0.765132  0.738956  0.700923  1
  Cu  Cu214  1  0.498217  0.209053  0.712070  1
  Cu  Cu215  1  0.431798  0.738956  0.700923  1
  Cu  Cu216  1  0.098465  0.738956  0.700923  1
