# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18411609
_cell_length_b   12.85469122
_cell_length_c   45.90653213
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.05839261
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu198
_cell_volume   5367.70018582
_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  0.134446  0.767439  0.282644  1
  Cu  Cu2  1  0.467779  0.434105  0.282644  1
  Cu  Cu3  1  0.401256  0.763109  0.294395  1
  Cu  Cu4  1  0.801112  0.100772  0.282644  1
  Cu  Cu5  1  0.734589  0.429776  0.294395  1
  Cu  Cu6  1  0.669465  0.756478  0.306676  1
  Cu  Cu7  1  0.067923  0.096443  0.294395  1
  Cu  Cu8  1  1.002798  0.423145  0.306676  1
  Cu  Cu9  1  0.336131  0.089812  0.306676  1
  Cu  Cu10  1  0.124358  0.590176  0.304604  1
  Cu  Cu11  1  0.457691  0.256843  0.304604  1
  Cu  Cu12  1  0.392730  0.585226  0.316683  1
  Cu  Cu13  1  0.791024  0.923510  0.304604  1
  Cu  Cu14  1  0.726063  0.251892  0.316683  1
  Cu  Cu15  1  0.854072  0.597312  0.292240  1
  Cu  Cu16  1  0.059397  0.918559  0.316683  1
  Cu  Cu17  1  0.187405  0.263979  0.292240  1
  Cu  Cu18  1  0.520739  0.930645  0.292240  1
  Cu  Cu19  1  0.938836  0.749356  0.319548  1
  Cu  Cu20  1  0.272169  0.416023  0.319548  1
  Cu  Cu21  1  0.208984  0.742314  0.333493  1
  Cu  Cu22  1  0.605502  0.082689  0.319548  1
  Cu  Cu23  1  0.542318  0.408981  0.333493  1
  Cu  Cu24  1  0.479249  0.736111  0.346232  1
  Cu  Cu25  1  0.875651  0.075648  0.333493  1
  Cu  Cu26  1  0.812582  0.402778  0.346232  1
  Cu  Cu27  1  0.145916  0.069444  0.346232  1
  Cu  Cu28  1  0.934221  0.569799  0.343596  1
  Cu  Cu29  1  0.267555  0.236465  0.343596  1
  Cu  Cu30  1  0.205637  0.562516  0.356914  1
  Cu  Cu31  1  0.600888  0.903132  0.343596  1
  Cu  Cu32  1  0.538970  0.229182  0.356914  1
  Cu  Cu33  1  0.661267  0.577527  0.329555  1
  Cu  Cu34  1  0.872304  0.895849  0.356914  1
  Cu  Cu35  1  0.994601  0.244193  0.329555  1
  Cu  Cu36  1  0.327934  0.910860  0.329555  1
  Cu  Cu37  1  0.749657  0.727979  0.359142  1
  Cu  Cu38  1  0.082990  0.394646  0.359142  1
  Cu  Cu39  1  0.019660  0.720989  0.372863  1
  Cu  Cu40  1  0.416324  0.061313  0.359142  1
  Cu  Cu41  1  0.352994  0.387656  0.372863  1
  Cu  Cu42  1  0.289968  0.714346  0.386374  1
  Cu  Cu43  1  0.686327  0.054322  0.372863  1
  Cu  Cu44  1  0.623301  0.381012  0.386374  1
  Cu  Cu45  1  0.956635  0.047679  0.386374  1
  Cu  Cu46  1  0.745331  0.549366  0.383433  1
  Cu  Cu47  1  0.078665  0.216032  0.383433  1
  Cu  Cu48  1  0.016519  0.541788  0.396912  1
  Cu  Cu49  1  0.411998  0.882699  0.383433  1
  Cu  Cu50  1  0.349852  0.208454  0.396912  1
  Cu  Cu51  1  0.475327  0.556535  0.370118  1
  Cu  Cu52  1  0.683186  0.875121  0.396912  1
  Cu  Cu53  1  0.808660  0.223202  0.370118  1
  Cu  Cu54  1  0.141994  0.889868  0.370118  1
  Cu  Cu55  1  0.560350  0.707573  0.399583  1
  Cu  Cu56  1  0.893684  0.374240  0.399583  1
  Cu  Cu57  1  0.830749  0.700243  0.412900  1
  Cu  Cu58  1  0.227017  0.040906  0.399583  1
  Cu  Cu59  1  0.164082  0.366909  0.412900  1
  Cu  Cu60  1  0.101172  0.693173  0.426425  1
  Cu  Cu61  1  0.497416  0.033576  0.412900  1
  Cu  Cu62  1  0.434505  0.359840  0.426425  1
  Cu  Cu63  1  0.767839  0.026506  0.426425  1
  Cu  Cu64  1  0.557584  0.528160  0.423729  1
  Cu  Cu65  1  0.890917  0.194827  0.423729  1
  Cu  Cu66  1  0.828076  0.521069  0.437089  1
  Cu  Cu67  1  0.224250  0.861494  0.423729  1
  Cu  Cu68  1  0.161409  0.187736  0.437089  1
  Cu  Cu69  1  0.287226  0.534944  0.410374  1
  Cu  Cu70  1  0.494742  0.854403  0.437089  1
  Cu  Cu71  1  0.620559  0.201611  0.410374  1
  Cu  Cu72  1  0.953892  0.868278  0.410374  1
  Cu  Cu73  1  0.371742  0.686313  0.439814  1
  Cu  Cu74  1  0.705075  0.352980  0.439814  1
  Cu  Cu75  1  0.642269  0.679322  0.453152  1
  Cu  Cu76  1  0.038408  0.019646  0.439814  1
  Cu  Cu77  1  0.975602  0.345988  0.453152  1
  Cu  Cu78  1  0.912729  0.672222  0.466550  1
  Cu  Cu79  1  0.308935  0.012655  0.453152  1
  Cu  Cu80  1  0.246062  0.338888  0.466550  1
  Cu  Cu81  1  0.579395  0.005555  0.466550  1
  Cu  Cu82  1  0.369237  0.506967  0.463917  1
  Cu  Cu83  1  0.702570  0.173634  0.463917  1
  Cu  Cu84  1  0.639767  0.499997  0.477297  1
  Cu  Cu85  1  0.035904  0.840300  0.463917  1
  Cu  Cu86  1  0.973100  0.166664  0.477297  1
  Cu  Cu87  1  0.098676  0.513903  0.450494  1
  Cu  Cu88  1  0.306434  0.833330  0.477297  1
  Cu  Cu89  1  0.432009  0.180569  0.450494  1
  Cu  Cu90  1  0.765342  0.847236  0.450494  1
  Cu  Cu91  1  0.183270  0.665197  0.479962  1
  Cu  Cu92  1  0.516604  0.331864  0.479962  1
  Cu  Cu93  1  0.453845  0.658239  0.493353  1
  Cu  Cu94  1  0.849937  0.998531  0.479962  1
  Cu  Cu95  1  0.787178  0.324906  0.493353  1
  Cu  Cu96  1  0.724360  0.651200  0.506744  1
  Cu  Cu97  1  0.120512  0.991573  0.493353  1
  Cu  Cu98  1  0.057693  0.317867  0.506744  1
  Cu  Cu99  1  0.391026  0.984534  0.506744  1
  Cu  Cu100  1  0.180795  0.485895  0.504075  1
  Cu  Cu101  1  0.514129  0.152562  0.504075  1
  Cu  Cu102  1  0.451370  0.478937  0.517466  1
  Cu  Cu103  1  0.847462  0.819228  0.504075  1
  Cu  Cu104  1  0.784703  0.145603  0.517466  1
  Cu  Cu105  1  0.910281  0.492934  0.490684  1
  Cu  Cu106  1  0.118037  0.812270  0.517466  1
  Cu  Cu107  1  0.243614  0.159600  0.490684  1
  Cu  Cu108  1  0.576948  0.826267  0.490684  1
  Cu  Cu109  1  0.994873  0.644137  0.520130  1
  Cu  Cu110  1  0.328207  0.310804  0.520130  1
  Cu  Cu111  1  0.265403  0.637167  0.533511  1
  Cu  Cu112  1  0.661540  0.977470  0.520130  1
  Cu  Cu113  1  0.598737  0.303834  0.533511  1
  Cu  Cu114  1  0.535965  0.630231  0.546934  1
  Cu  Cu115  1  0.932070  0.970501  0.533511  1
  Cu  Cu116  1  0.869298  0.296898  0.546934  1
  Cu  Cu117  1  0.202632  0.963565  0.546934  1
  Cu  Cu118  1  0.992372  0.464812  0.544276  1
  Cu  Cu119  1  0.325705  0.131479  0.544276  1
  Cu  Cu120  1  0.262899  0.457821  0.557614  1
  Cu  Cu121  1  0.659039  0.798146  0.544276  1
  Cu  Cu122  1  0.596232  0.124488  0.557614  1
  Cu  Cu123  1  0.721912  0.471913  0.530878  1
  Cu  Cu124  1  0.929566  0.791155  0.557614  1
  Cu  Cu125  1  0.055245  0.138579  0.530878  1
  Cu  Cu126  1  0.388578  0.805246  0.530878  1
  Cu  Cu127  1  0.806565  0.623065  0.560338  1
  Cu  Cu128  1  0.139898  0.289731  0.560338  1
  Cu  Cu129  1  0.077057  0.615974  0.573698  1
  Cu  Cu130  1  0.473231  0.956398  0.560338  1
  Cu  Cu131  1  0.410390  0.282641  0.573698  1
  Cu  Cu132  1  0.347415  0.609190  0.587054  1
  Cu  Cu133  1  0.743723  0.949307  0.573698  1
  Cu  Cu134  1  0.680748  0.275856  0.587054  1
  Cu  Cu135  1  0.014081  0.942523  0.587054  1
  Cu  Cu136  1  0.803892  0.443891  0.584528  1
  Cu  Cu137  1  0.137225  0.110558  0.584528  1
  Cu  Cu138  1  0.074290  0.436561  0.597845  1
  Cu  Cu139  1  0.470558  0.777225  0.584528  1
  Cu  Cu140  1  0.407623  0.103228  0.597845  1
  Cu  Cu141  1  0.533469  0.450961  0.571002  1
  Cu  Cu142  1  0.740957  0.769894  0.597845  1
  Cu  Cu143  1  0.866802  0.117628  0.571002  1
  Cu  Cu144  1  0.200135  0.784294  0.571002  1
  Cu  Cu145  1  0.618122  0.602347  0.600515  1
  Cu  Cu146  1  0.951455  0.269013  0.600515  1
  Cu  Cu147  1  0.889309  0.594768  0.613995  1
  Cu  Cu148  1  0.284788  0.935680  0.600515  1
  Cu  Cu149  1  0.222643  0.261435  0.613995  1
  Cu  Cu150  1  0.159314  0.587599  0.627309  1
  Cu  Cu151  1  0.555976  0.928102  0.613995  1
  Cu  Cu152  1  0.492647  0.254266  0.627309  1
  Cu  Cu153  1  0.825980  0.920932  0.627309  1
  Cu  Cu154  1  0.614980  0.423145  0.624565  1
  Cu  Cu155  1  0.948313  0.089812  0.624565  1
  Cu  Cu156  1  0.884984  0.416155  0.638285  1
  Cu  Cu157  1  0.281647  0.756478  0.624565  1
  Cu  Cu158  1  0.218317  0.082821  0.638285  1
  Cu  Cu159  1  0.344672  0.429788  0.611054  1
  Cu  Cu160  1  0.551650  0.749488  0.638285  1
  Cu  Cu161  1  0.678006  0.096455  0.611054  1
  Cu  Cu162  1  0.011339  0.763122  0.611054  1
  Cu  Cu163  1  0.429003  0.581618  0.640514  1
  Cu  Cu164  1  0.762337  0.248285  0.640514  1
  Cu  Cu165  1  0.700419  0.574336  0.653832  1
  Cu  Cu166  1  0.095670  0.914952  0.640514  1
  Cu  Cu167  1  0.033753  0.241002  0.653832  1
  Cu  Cu168  1  0.973373  0.566608  0.667873  1
  Cu  Cu169  1  0.367086  0.907669  0.653832  1
  Cu  Cu170  1  0.306707  0.233274  0.667873  1
  Cu  Cu171  1  0.640040  0.899941  0.667873  1
  Cu  Cu172  1  0.425656  0.401820  0.663935  1
  Cu  Cu173  1  0.758989  0.068486  0.663935  1
  Cu  Cu174  1  0.695805  0.394778  0.677880  1
  Cu  Cu175  1  0.092323  0.735153  0.663935  1
  Cu  Cu176  1  0.029138  0.061445  0.677880  1
  Cu  Cu177  1  0.155392  0.408023  0.651196  1
  Cu  Cu178  1  0.362471  0.728111  0.677880  1
  Cu  Cu179  1  0.488725  0.074690  0.651196  1
  Cu  Cu180  1  0.822058  0.741356  0.651196  1
  Cu  Cu181  1  0.241911  0.558908  0.680745  1
  Cu  Cu182  1  0.575244  0.225575  0.680745  1
  Cu  Cu183  1  0.510283  0.553958  0.692823  1
  Cu  Cu184  1  0.908577  0.892242  0.680745  1
  Cu  Cu185  1  0.843616  0.220624  0.692823  1
  Cu  Cu186  1  0.780569  0.546822  0.705188  1
  Cu  Cu187  1  0.176950  0.887291  0.692823  1
  Cu  Cu188  1  0.113902  0.213489  0.705188  1
  Cu  Cu189  1  0.447235  0.880155  0.705188  1
  Cu  Cu190  1  0.233385  0.381025  0.703033  1
  Cu  Cu191  1  0.566718  0.047691  0.703033  1
  Cu  Cu192  1  0.500195  0.376695  0.714784  1
  Cu  Cu193  1  0.900051  0.714358  0.703033  1
  Cu  Cu194  1  0.833528  0.043362  0.714784  1
  Cu  Cu195  1  0.965176  0.387656  0.690752  1
  Cu  Cu196  1  0.166862  0.710029  0.714784  1
  Cu  Cu197  1  0.298509  0.054323  0.690752  1
  Cu  Cu198  1  0.631842  0.720989  0.690752  1
