# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.20798621
_cell_length_b   12.98619098
_cell_length_c   46.24892296
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu216
_cell_volume   5639.59802709
_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  0.788846  0.283440  0.304175  1
  Cu  Cu2  1  0.288846  0.283440  0.304175  1
  Cu  Cu3  1  0.221973  0.649621  0.287884  1
  Cu  Cu4  1  0.356996  0.919884  0.321191  1
  Cu  Cu5  1  0.721973  0.649621  0.287884  1
  Cu  Cu6  1  0.856996  0.919884  0.321191  1
  Cu  Cu7  1  0.322035  0.099954  0.312016  1
  Cu  Cu8  1  0.822035  0.099954  0.312016  1
  Cu  Cu9  1  0.755356  0.466399  0.296014  1
  Cu  Cu10  1  0.187617  0.831030  0.280655  1
  Cu  Cu11  1  0.255356  0.466399  0.296014  1
  Cu  Cu12  1  0.687617  0.831030  0.280655  1
  Cu  Cu13  1  0.572035  0.099954  0.312016  1
  Cu  Cu14  1  0.072035  0.099954  0.312016  1
  Cu  Cu15  1  0.005356  0.466399  0.296014  1
  Cu  Cu16  1  0.437617  0.831030  0.280655  1
  Cu  Cu17  1  0.505356  0.466399  0.296014  1
  Cu  Cu18  1  0.937617  0.831030  0.280655  1
  Cu  Cu19  1  0.538846  0.283440  0.304175  1
  Cu  Cu20  1  0.038846  0.283440  0.304175  1
  Cu  Cu21  1  0.971973  0.649621  0.287884  1
  Cu  Cu22  1  0.106996  0.919884  0.321191  1
  Cu  Cu23  1  0.471973  0.649621  0.287884  1
  Cu  Cu24  1  0.606996  0.919884  0.321191  1
  Cu  Cu25  1  0.492797  0.191650  0.353243  1
  Cu  Cu26  1  0.992797  0.191650  0.353243  1
  Cu  Cu27  1  0.925067  0.556048  0.337037  1
  Cu  Cu28  1  0.061320  0.828716  0.370880  1
  Cu  Cu29  1  0.425067  0.556048  0.337037  1
  Cu  Cu30  1  0.561320  0.828716  0.370880  1
  Cu  Cu31  1  0.027468  0.010981  0.362262  1
  Cu  Cu32  1  0.527468  0.010981  0.362262  1
  Cu  Cu33  1  0.458964  0.373900  0.345164  1
  Cu  Cu34  1  0.891201  0.738285  0.329029  1
  Cu  Cu35  1  0.958964  0.373900  0.345164  1
  Cu  Cu36  1  0.391201  0.738285  0.329029  1
  Cu  Cu37  1  0.277468  0.010981  0.362262  1
  Cu  Cu38  1  0.777468  0.010981  0.362262  1
  Cu  Cu39  1  0.708964  0.373900  0.345164  1
  Cu  Cu40  1  0.141201  0.738285  0.329029  1
  Cu  Cu41  1  0.208964  0.373900  0.345164  1
  Cu  Cu42  1  0.641201  0.738285  0.329029  1
  Cu  Cu43  1  0.242797  0.191650  0.353243  1
  Cu  Cu44  1  0.742797  0.191650  0.353243  1
  Cu  Cu45  1  0.675067  0.556048  0.337037  1
  Cu  Cu46  1  0.811320  0.828716  0.370880  1
  Cu  Cu47  1  0.175067  0.556048  0.337037  1
  Cu  Cu48  1  0.311320  0.828716  0.370880  1
  Cu  Cu49  1  0.197527  0.101291  0.403875  1
  Cu  Cu50  1  0.697527  0.101291  0.403875  1
  Cu  Cu51  1  0.629158  0.464483  0.387100  1
  Cu  Cu52  1  0.765447  0.737216  0.420741  1
  Cu  Cu53  1  0.129158  0.464483  0.387100  1
  Cu  Cu54  1  0.265447  0.737216  0.420741  1
  Cu  Cu55  1  0.731593  0.919456  0.412432  1
  Cu  Cu56  1  0.231593  0.919456  0.412432  1
  Cu  Cu57  1  0.163161  0.282545  0.395262  1
  Cu  Cu58  1  0.595179  0.646475  0.378966  1
  Cu  Cu59  1  0.663161  0.282545  0.395262  1
  Cu  Cu60  1  0.095179  0.646475  0.378966  1
  Cu  Cu61  1  0.981593  0.919456  0.412432  1
  Cu  Cu62  1  0.481593  0.919456  0.412432  1
  Cu  Cu63  1  0.413161  0.282545  0.395262  1
  Cu  Cu64  1  0.845179  0.646475  0.378966  1
  Cu  Cu65  1  0.913161  0.282545  0.395262  1
  Cu  Cu66  1  0.345179  0.646475  0.378966  1
  Cu  Cu67  1  0.947527  0.101291  0.403875  1
  Cu  Cu68  1  0.447527  0.101291  0.403875  1
  Cu  Cu69  1  0.379158  0.464483  0.387100  1
  Cu  Cu70  1  0.515447  0.737216  0.420741  1
  Cu  Cu71  1  0.879158  0.464483  0.387100  1
  Cu  Cu72  1  0.015447  0.737216  0.420741  1
  Cu  Cu73  1  0.901726  0.009922  0.454063  1
  Cu  Cu74  1  0.401726  0.009922  0.454063  1
  Cu  Cu75  1  0.333432  0.373273  0.437159  1
  Cu  Cu76  1  0.469679  0.645919  0.470757  1
  Cu  Cu77  1  0.833432  0.373273  0.437159  1
  Cu  Cu78  1  0.969679  0.645919  0.470757  1
  Cu  Cu79  1  0.435690  0.827898  0.462446  1
  Cu  Cu80  1  0.935690  0.827898  0.462446  1
  Cu  Cu81  1  0.867630  0.191695  0.445584  1
  Cu  Cu82  1  0.299404  0.555175  0.428948  1
  Cu  Cu83  1  0.367630  0.191695  0.445584  1
  Cu  Cu84  1  0.799404  0.555175  0.428948  1
  Cu  Cu85  1  0.685690  0.827898  0.462446  1
  Cu  Cu86  1  0.185690  0.827898  0.462446  1
  Cu  Cu87  1  0.117630  0.191695  0.445584  1
  Cu  Cu88  1  0.549404  0.555175  0.428948  1
  Cu  Cu89  1  0.617630  0.191695  0.445584  1
  Cu  Cu90  1  0.049404  0.555175  0.428948  1
  Cu  Cu91  1  0.651726  0.009922  0.454063  1
  Cu  Cu92  1  0.151726  0.009922  0.454063  1
  Cu  Cu93  1  0.083432  0.373273  0.437159  1
  Cu  Cu94  1  0.219679  0.645919  0.470757  1
  Cu  Cu95  1  0.583432  0.373273  0.437159  1
  Cu  Cu96  1  0.719679  0.645919  0.470757  1
  Cu  Cu97  1  0.605863  0.918441  0.504140  1
  Cu  Cu98  1  0.105863  0.918441  0.504140  1
  Cu  Cu99  1  0.037809  0.282249  0.487341  1
  Cu  Cu100  1  0.174009  0.554805  0.520860  1
  Cu  Cu101  1  0.537809  0.282249  0.487341  1
  Cu  Cu102  1  0.674009  0.554805  0.520860  1
  Cu  Cu103  1  0.139917  0.736589  0.512536  1
  Cu  Cu104  1  0.639917  0.736589  0.512536  1
  Cu  Cu105  1  0.571863  0.100397  0.495737  1
  Cu  Cu106  1  0.003717  0.464033  0.479017  1
  Cu  Cu107  1  0.071863  0.100397  0.495737  1
  Cu  Cu108  1  0.503717  0.464033  0.479017  1
  Cu  Cu109  1  0.389917  0.736589  0.512536  1
  Cu  Cu110  1  0.889917  0.736589  0.512536  1
  Cu  Cu111  1  0.821863  0.100397  0.495737  1
  Cu  Cu112  1  0.253717  0.464033  0.479017  1
  Cu  Cu113  1  0.321863  0.100397  0.495737  1
  Cu  Cu114  1  0.753717  0.464033  0.479017  1
  Cu  Cu115  1  0.355863  0.918441  0.504140  1
  Cu  Cu116  1  0.855863  0.918441  0.504140  1
  Cu  Cu117  1  0.787809  0.282249  0.487341  1
  Cu  Cu118  1  0.924009  0.554805  0.520860  1
  Cu  Cu119  1  0.287809  0.282249  0.487341  1
  Cu  Cu120  1  0.424009  0.554805  0.520860  1
  Cu  Cu121  1  0.310095  0.827143  0.554293  1
  Cu  Cu122  1  0.810095  0.827143  0.554293  1
  Cu  Cu123  1  0.742035  0.190940  0.537431  1
  Cu  Cu124  1  0.878321  0.463663  0.570929  1
  Cu  Cu125  1  0.242035  0.190940  0.537431  1
  Cu  Cu126  1  0.378321  0.463663  0.570929  1
  Cu  Cu127  1  0.844293  0.645565  0.562718  1
  Cu  Cu128  1  0.344293  0.645565  0.562718  1
  Cu  Cu129  1  0.276000  0.008916  0.545814  1
  Cu  Cu130  1  0.708047  0.372919  0.529120  1
  Cu  Cu131  1  0.776000  0.008916  0.545814  1
  Cu  Cu132  1  0.208047  0.372919  0.529120  1
  Cu  Cu133  1  0.094293  0.645565  0.562718  1
  Cu  Cu134  1  0.594293  0.645565  0.562718  1
  Cu  Cu135  1  0.526000  0.008916  0.545814  1
  Cu  Cu136  1  0.958047  0.372919  0.529120  1
  Cu  Cu137  1  0.026000  0.008916  0.545814  1
  Cu  Cu138  1  0.458047  0.372919  0.529120  1
  Cu  Cu139  1  0.060095  0.827143  0.554293  1
  Cu  Cu140  1  0.560095  0.827143  0.554293  1
  Cu  Cu141  1  0.492035  0.190940  0.537431  1
  Cu  Cu142  1  0.628321  0.463663  0.570929  1
  Cu  Cu143  1  0.992035  0.190940  0.537431  1
  Cu  Cu144  1  0.128321  0.463663  0.570929  1
  Cu  Cu145  1  0.014565  0.736293  0.604615  1
  Cu  Cu146  1  0.514565  0.736293  0.604615  1
  Cu  Cu147  1  0.446132  0.099382  0.587445  1
  Cu  Cu148  1  0.582547  0.372363  0.620911  1
  Cu  Cu149  1  0.946132  0.099382  0.587445  1
  Cu  Cu150  1  0.082547  0.372363  0.620911  1
  Cu  Cu151  1  0.548568  0.554355  0.612777  1
  Cu  Cu152  1  0.048568  0.554355  0.612777  1
  Cu  Cu153  1  0.980199  0.917547  0.596002  1
  Cu  Cu154  1  0.412278  0.281622  0.579136  1
  Cu  Cu155  1  0.480199  0.917547  0.596002  1
  Cu  Cu156  1  0.912278  0.281622  0.579136  1
  Cu  Cu157  1  0.798568  0.554355  0.612777  1
  Cu  Cu158  1  0.298568  0.554355  0.612777  1
  Cu  Cu159  1  0.230199  0.917547  0.596002  1
  Cu  Cu160  1  0.662278  0.281622  0.579136  1
  Cu  Cu161  1  0.730199  0.917547  0.596002  1
  Cu  Cu162  1  0.162278  0.281622  0.579136  1
  Cu  Cu163  1  0.764565  0.736293  0.604615  1
  Cu  Cu164  1  0.264565  0.736293  0.604615  1
  Cu  Cu165  1  0.196132  0.099382  0.587445  1
  Cu  Cu166  1  0.332547  0.372363  0.620911  1
  Cu  Cu167  1  0.696132  0.099382  0.587445  1
  Cu  Cu168  1  0.832547  0.372363  0.620911  1
  Cu  Cu169  1  0.718761  0.644938  0.654713  1
  Cu  Cu170  1  0.218761  0.644938  0.654713  1
  Cu  Cu171  1  0.150258  0.007857  0.637615  1
  Cu  Cu172  1  0.286524  0.280553  0.670847  1
  Cu  Cu173  1  0.650258  0.007857  0.637615  1
  Cu  Cu174  1  0.786524  0.280553  0.670847  1
  Cu  Cu175  1  0.252659  0.462790  0.662840  1
  Cu  Cu176  1  0.752659  0.462790  0.662840  1
  Cu  Cu177  1  0.684928  0.827188  0.646634  1
  Cu  Cu178  1  0.116405  0.190122  0.628997  1
  Cu  Cu179  1  0.184928  0.827188  0.646634  1
  Cu  Cu180  1  0.616405  0.190122  0.628997  1
  Cu  Cu181  1  0.502659  0.462790  0.662840  1
  Cu  Cu182  1  0.002659  0.462790  0.662840  1
  Cu  Cu183  1  0.934928  0.827188  0.646634  1
  Cu  Cu184  1  0.366405  0.190122  0.628997  1
  Cu  Cu185  1  0.434928  0.827188  0.646634  1
  Cu  Cu186  1  0.866405  0.190122  0.628997  1
  Cu  Cu187  1  0.468761  0.644938  0.654713  1
  Cu  Cu188  1  0.968761  0.644938  0.654713  1
  Cu  Cu189  1  0.900258  0.007857  0.637615  1
  Cu  Cu190  1  0.036524  0.280553  0.670847  1
  Cu  Cu191  1  0.400258  0.007857  0.637615  1
  Cu  Cu192  1  0.536524  0.280553  0.670847  1
  Cu  Cu193  1  0.422370  0.552439  0.703863  1
  Cu  Cu194  1  0.922370  0.552439  0.703863  1
  Cu  Cu195  1  0.855691  0.918884  0.687861  1
  Cu  Cu196  1  0.990108  0.187808  0.719221  1
  Cu  Cu197  1  0.355691  0.918884  0.687861  1
  Cu  Cu198  1  0.490108  0.187808  0.719221  1
  Cu  Cu199  1  0.955752  0.369218  0.711993  1
  Cu  Cu200  1  0.455752  0.369218  0.711993  1
  Cu  Cu201  1  0.388879  0.735398  0.695702  1
  Cu  Cu202  1  0.820729  0.098954  0.678686  1
  Cu  Cu203  1  0.888879  0.735398  0.695702  1
  Cu  Cu204  1  0.320729  0.098954  0.678686  1
  Cu  Cu205  1  0.205752  0.369218  0.711993  1
  Cu  Cu206  1  0.705752  0.369218  0.711993  1
  Cu  Cu207  1  0.638879  0.735398  0.695702  1
  Cu  Cu208  1  0.070729  0.098954  0.678686  1
  Cu  Cu209  1  0.138879  0.735398  0.695702  1
  Cu  Cu210  1  0.570729  0.098954  0.678686  1
  Cu  Cu211  1  0.172370  0.552439  0.703863  1
  Cu  Cu212  1  0.672370  0.552439  0.703863  1
  Cu  Cu213  1  0.605691  0.918884  0.687861  1
  Cu  Cu214  1  0.740108  0.187808  0.719221  1
  Cu  Cu215  1  0.105691  0.918884  0.687861  1
  Cu  Cu216  1  0.240108  0.187808  0.719221  1
