# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18255762
_cell_length_b   12.85457876
_cell_length_c   45.91598609
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.05841788
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu198
_cell_volume   5367.84793133
_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  0.134460  0.767455  0.282560  1
  Cu  Cu2  1  0.467794  0.434121  0.282560  1
  Cu  Cu3  1  0.401303  0.763138  0.294311  1
  Cu  Cu4  1  0.801127  0.100788  0.282560  1
  Cu  Cu5  1  0.734636  0.429805  0.294311  1
  Cu  Cu6  1  0.669530  0.756495  0.306593  1
  Cu  Cu7  1  0.067970  0.096471  0.294311  1
  Cu  Cu8  1  1.002864  0.423161  0.306593  1
  Cu  Cu9  1  0.336197  0.089828  0.306593  1
  Cu  Cu10  1  0.124475  0.590188  0.304513  1
  Cu  Cu11  1  0.457808  0.256855  0.304513  1
  Cu  Cu12  1  0.392849  0.585243  0.316592  1
  Cu  Cu13  1  0.791142  0.923522  0.304513  1
  Cu  Cu14  1  0.726183  0.251910  0.316592  1
  Cu  Cu15  1  0.854170  0.597338  0.292151  1
  Cu  Cu16  1  0.059516  0.918577  0.316592  1
  Cu  Cu17  1  0.187504  0.264004  0.292151  1
  Cu  Cu18  1  0.520837  0.930671  0.292151  1
  Cu  Cu19  1  0.938909  0.749367  0.319466  1
  Cu  Cu20  1  0.272242  0.416034  0.319466  1
  Cu  Cu21  1  0.209059  0.742328  0.333405  1
  Cu  Cu22  1  0.605575  0.082700  0.319466  1
  Cu  Cu23  1  0.542392  0.408994  0.333405  1
  Cu  Cu24  1  0.479323  0.736123  0.346144  1
  Cu  Cu25  1  0.875725  0.075661  0.333405  1
  Cu  Cu26  1  0.812656  0.402789  0.346144  1
  Cu  Cu27  1  0.145989  0.069456  0.346144  1
  Cu  Cu28  1  0.934329  0.569815  0.343502  1
  Cu  Cu29  1  0.267663  0.236481  0.343502  1
  Cu  Cu30  1  0.205742  0.562535  0.356818  1
  Cu  Cu31  1  0.600996  0.903148  0.343502  1
  Cu  Cu32  1  0.539075  0.229201  0.356818  1
  Cu  Cu33  1  0.661383  0.577545  0.329467  1
  Cu  Cu34  1  0.872408  0.895868  0.356818  1
  Cu  Cu35  1  0.994717  0.244212  0.329467  1
  Cu  Cu36  1  0.328050  0.910878  0.329467  1
  Cu  Cu37  1  0.749733  0.727993  0.359056  1
  Cu  Cu38  1  0.083066  0.394660  0.359056  1
  Cu  Cu39  1  0.019737  0.721002  0.372774  1
  Cu  Cu40  1  0.416399  0.061327  0.359056  1
  Cu  Cu41  1  0.353070  0.387668  0.372774  1
  Cu  Cu42  1  0.290044  0.714358  0.386283  1
  Cu  Cu43  1  0.686404  0.054335  0.372774  1
  Cu  Cu44  1  0.623377  0.381024  0.386283  1
  Cu  Cu45  1  0.956710  0.047691  0.386283  1
  Cu  Cu46  1  0.745438  0.549380  0.383337  1
  Cu  Cu47  1  0.078771  0.216047  0.383337  1
  Cu  Cu48  1  0.016624  0.541802  0.396814  1
  Cu  Cu49  1  0.412105  0.882713  0.383337  1
  Cu  Cu50  1  0.349957  0.208469  0.396814  1
  Cu  Cu51  1  0.475431  0.556550  0.370022  1
  Cu  Cu52  1  0.683290  0.875136  0.396814  1
  Cu  Cu53  1  0.808764  0.223216  0.370022  1
  Cu  Cu54  1  0.142098  0.889883  0.370022  1
  Cu  Cu55  1  0.560426  0.707583  0.399491  1
  Cu  Cu56  1  0.893759  0.374249  0.399491  1
  Cu  Cu57  1  0.830825  0.700252  0.412808  1
  Cu  Cu58  1  0.227092  0.040916  0.399491  1
  Cu  Cu59  1  0.164158  0.366919  0.412808  1
  Cu  Cu60  1  0.101247  0.693182  0.426332  1
  Cu  Cu61  1  0.497491  0.033586  0.412808  1
  Cu  Cu62  1  0.434580  0.359849  0.426332  1
  Cu  Cu63  1  0.767914  0.026515  0.426332  1
  Cu  Cu64  1  0.557686  0.528173  0.423628  1
  Cu  Cu65  1  0.891019  0.194839  0.423628  1
  Cu  Cu66  1  0.828178  0.521081  0.436987  1
  Cu  Cu67  1  0.224353  0.861506  0.423628  1
  Cu  Cu68  1  0.161511  0.187748  0.436987  1
  Cu  Cu69  1  0.287329  0.534959  0.410274  1
  Cu  Cu70  1  0.494844  0.854415  0.436987  1
  Cu  Cu71  1  0.620663  0.201626  0.410274  1
  Cu  Cu72  1  0.953996  0.868292  0.410274  1
  Cu  Cu73  1  0.371816  0.686321  0.439719  1
  Cu  Cu74  1  0.705149  0.352988  0.439719  1
  Cu  Cu75  1  0.642342  0.679328  0.453056  1
  Cu  Cu76  1  0.038482  0.019654  0.439719  1
  Cu  Cu77  1  0.975675  0.345995  0.453056  1
  Cu  Cu78  1  0.912801  0.672228  0.466453  1
  Cu  Cu79  1  0.309008  0.012662  0.453056  1
  Cu  Cu80  1  0.246134  0.338894  0.466453  1
  Cu  Cu81  1  0.579468  0.005561  0.466453  1
  Cu  Cu82  1  0.369337  0.506978  0.463812  1
  Cu  Cu83  1  0.702670  0.173644  0.463812  1
  Cu  Cu84  1  0.639866  0.500007  0.477192  1
  Cu  Cu85  1  0.036004  0.840311  0.463812  1
  Cu  Cu86  1  0.973199  0.166673  0.477192  1
  Cu  Cu87  1  0.098776  0.513915  0.450391  1
  Cu  Cu88  1  0.306532  0.833340  0.477192  1
  Cu  Cu89  1  0.432110  0.180581  0.450391  1
  Cu  Cu90  1  0.765443  0.847248  0.450391  1
  Cu  Cu91  1  0.183342  0.665203  0.479864  1
  Cu  Cu92  1  0.516675  0.331869  0.479864  1
  Cu  Cu93  1  0.453915  0.658244  0.493254  1
  Cu  Cu94  1  0.850008  0.998536  0.479864  1
  Cu  Cu95  1  0.787249  0.324911  0.493254  1
  Cu  Cu96  1  0.724428  0.651204  0.506643  1
  Cu  Cu97  1  0.120582  0.991577  0.493254  1
  Cu  Cu98  1  0.057762  0.317871  0.506643  1
  Cu  Cu99  1  0.391095  0.984538  0.506643  1
  Cu  Cu100  1  0.180892  0.485903  0.503966  1
  Cu  Cu101  1  0.514225  0.152570  0.503966  1
  Cu  Cu102  1  0.451465  0.478944  0.517356  1
  Cu  Cu103  1  0.847558  0.819236  0.503966  1
  Cu  Cu104  1  0.784799  0.145611  0.517356  1
  Cu  Cu105  1  0.910379  0.492943  0.490577  1
  Cu  Cu106  1  0.118132  0.812278  0.517356  1
  Cu  Cu107  1  0.243712  0.159610  0.490577  1
  Cu  Cu108  1  0.577045  0.826276  0.490577  1
  Cu  Cu109  1  0.994941  0.644140  0.520029  1
  Cu  Cu110  1  0.328274  0.310807  0.520029  1
  Cu  Cu111  1  0.265470  0.637169  0.533408  1
  Cu  Cu112  1  0.661608  0.977474  0.520029  1
  Cu  Cu113  1  0.598803  0.303836  0.533408  1
  Cu  Cu114  1  0.536030  0.630233  0.546830  1
  Cu  Cu115  1  0.932136  0.970503  0.533408  1
  Cu  Cu116  1  0.869364  0.296899  0.546830  1
  Cu  Cu117  1  0.202697  0.963566  0.546830  1
  Cu  Cu118  1  0.992465  0.464819  0.544164  1
  Cu  Cu119  1  0.325799  0.131485  0.544164  1
  Cu  Cu120  1  0.262991  0.457826  0.557501  1
  Cu  Cu121  1  0.659132  0.798152  0.544164  1
  Cu  Cu122  1  0.596324  0.124493  0.557501  1
  Cu  Cu123  1  0.722006  0.471919  0.530767  1
  Cu  Cu124  1  0.929658  0.791160  0.557501  1
  Cu  Cu125  1  0.055339  0.138586  0.530767  1
  Cu  Cu126  1  0.388672  0.805253  0.530767  1
  Cu  Cu127  1  0.806629  0.623066  0.560233  1
  Cu  Cu128  1  0.139962  0.289733  0.560233  1
  Cu  Cu129  1  0.077121  0.615975  0.573592  1
  Cu  Cu130  1  0.473296  0.956399  0.560233  1
  Cu  Cu131  1  0.410454  0.282641  0.573592  1
  Cu  Cu132  1  0.347478  0.609188  0.586947  1
  Cu  Cu133  1  0.743787  0.949308  0.573592  1
  Cu  Cu134  1  0.680811  0.275855  0.586947  1
  Cu  Cu135  1  0.014144  0.942522  0.586947  1
  Cu  Cu136  1  0.803982  0.443895  0.584412  1
  Cu  Cu137  1  0.137315  0.110562  0.584412  1
  Cu  Cu138  1  0.074381  0.436565  0.597729  1
  Cu  Cu139  1  0.470649  0.777228  0.584412  1
  Cu  Cu140  1  0.407715  0.103231  0.597729  1
  Cu  Cu141  1  0.533560  0.450965  0.570888  1
  Cu  Cu142  1  0.741048  0.769898  0.597729  1
  Cu  Cu143  1  0.866893  0.117632  0.570888  1
  Cu  Cu144  1  0.200226  0.784298  0.570888  1
  Cu  Cu145  1  0.618183  0.602345  0.600406  1
  Cu  Cu146  1  0.951517  0.269011  0.600406  1
  Cu  Cu147  1  0.889369  0.594767  0.613884  1
  Cu  Cu148  1  0.284850  0.935678  0.600406  1
  Cu  Cu149  1  0.222702  0.261434  0.613884  1
  Cu  Cu150  1  0.159376  0.587598  0.627198  1
  Cu  Cu151  1  0.556036  0.928100  0.613884  1
  Cu  Cu152  1  0.492709  0.254264  0.627198  1
  Cu  Cu153  1  0.826042  0.920931  0.627198  1
  Cu  Cu154  1  0.615070  0.423146  0.624446  1
  Cu  Cu155  1  0.948403  0.089812  0.624446  1
  Cu  Cu156  1  0.885074  0.416154  0.638165  1
  Cu  Cu157  1  0.281736  0.756479  0.624446  1
  Cu  Cu158  1  0.218407  0.082820  0.638165  1
  Cu  Cu159  1  0.344763  0.429790  0.610937  1
  Cu  Cu160  1  0.551741  0.749487  0.638165  1
  Cu  Cu161  1  0.678096  0.096456  0.610937  1
  Cu  Cu162  1  0.011430  0.763123  0.610937  1
  Cu  Cu163  1  0.429065  0.581613  0.640402  1
  Cu  Cu164  1  0.762398  0.248279  0.640402  1
  Cu  Cu165  1  0.700477  0.574333  0.653718  1
  Cu  Cu166  1  0.095732  0.914946  0.640402  1
  Cu  Cu167  1  0.033811  0.240999  0.653718  1
  Cu  Cu168  1  0.973423  0.566602  0.667754  1
  Cu  Cu169  1  0.367144  0.907666  0.653718  1
  Cu  Cu170  1  0.306757  0.233269  0.667754  1
  Cu  Cu171  1  0.640090  0.899935  0.667754  1
  Cu  Cu172  1  0.425748  0.401820  0.663815  1
  Cu  Cu173  1  0.759081  0.068486  0.663815  1
  Cu  Cu174  1  0.695898  0.394780  0.677754  1
  Cu  Cu175  1  0.092415  0.735153  0.663815  1
  Cu  Cu176  1  0.029231  0.061447  0.677754  1
  Cu  Cu177  1  0.155484  0.408025  0.651076  1
  Cu  Cu178  1  0.362565  0.728113  0.677754  1
  Cu  Cu179  1  0.488817  0.074691  0.651076  1
  Cu  Cu180  1  0.822151  0.741358  0.651076  1
  Cu  Cu181  1  0.241957  0.558904  0.680629  1
  Cu  Cu182  1  0.575291  0.225570  0.680629  1
  Cu  Cu183  1  0.510332  0.553959  0.692707  1
  Cu  Cu184  1  0.908624  0.892237  0.680629  1
  Cu  Cu185  1  0.843665  0.220626  0.692707  1
  Cu  Cu186  1  0.780636  0.546809  0.705069  1
  Cu  Cu187  1  0.176999  0.887292  0.692707  1
  Cu  Cu188  1  0.113970  0.213476  0.705069  1
  Cu  Cu189  1  0.447303  0.880143  0.705069  1
  Cu  Cu190  1  0.233504  0.381009  0.702909  1
  Cu  Cu191  1  0.566837  0.047676  0.702909  1
  Cu  Cu192  1  0.500346  0.376692  0.714660  1
  Cu  Cu193  1  0.900171  0.714342  0.702909  1
  Cu  Cu194  1  0.833680  0.043359  0.714660  1
  Cu  Cu195  1  0.965277  0.387653  0.690628  1
  Cu  Cu196  1  0.167013  0.710026  0.714660  1
  Cu  Cu197  1  0.298610  0.054319  0.690628  1
  Cu  Cu198  1  0.631943  0.720986  0.690628  1
