# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.19530027
_cell_length_b   11.24698667
_cell_length_c   46.60554208
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.92621460
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu216
_cell_volume   5600.88247485
_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  0.078019  0.933859  0.294893  1
  Cu  Cu2  1  0.744686  0.933859  0.294893  1
  Cu  Cu3  1  0.678258  0.463701  0.283741  1
  Cu  Cu4  1  0.411352  0.933859  0.294893  1
  Cu  Cu5  1  0.344925  0.463701  0.283741  1
  Cu  Cu6  1  0.011592  0.463701  0.283741  1
  Cu  Cu7  1  0.491784  0.199480  0.289690  1
  Cu  Cu8  1  0.158451  0.199480  0.289690  1
  Cu  Cu9  1  0.088444  0.727349  0.278340  1
  Cu  Cu10  1  0.825118  0.199480  0.289690  1
  Cu  Cu11  1  0.755111  0.727349  0.278340  1
  Cu  Cu12  1  0.421777  0.727349  0.278340  1
  Cu  Cu13  1  0.885356  0.878156  0.319584  1
  Cu  Cu14  1  0.552022  0.878156  0.319584  1
  Cu  Cu15  1  0.482126  0.405230  0.306839  1
  Cu  Cu16  1  0.218689  0.878156  0.319584  1
  Cu  Cu17  1  0.148793  0.405230  0.306839  1
  Cu  Cu18  1  0.815460  0.405230  0.306839  1
  Cu  Cu19  1  0.295930  0.140192  0.312691  1
  Cu  Cu20  1  0.962597  0.140192  0.312691  1
  Cu  Cu21  1  0.893381  0.668454  0.301123  1
  Cu  Cu22  1  0.629263  0.140192  0.312691  1
  Cu  Cu23  1  0.560048  0.668454  0.301123  1
  Cu  Cu24  1  0.226714  0.668454  0.301123  1
  Cu  Cu25  1  0.689028  0.817849  0.344357  1
  Cu  Cu26  1  0.355695  0.817849  0.344357  1
  Cu  Cu27  1  0.286884  0.346543  0.332503  1
  Cu  Cu28  1  0.022362  0.817849  0.344357  1
  Cu  Cu29  1  0.953551  0.346543  0.332503  1
  Cu  Cu30  1  0.620218  0.346543  0.332503  1
  Cu  Cu31  1  0.100733  0.082396  0.338531  1
  Cu  Cu32  1  0.767400  0.082396  0.338531  1
  Cu  Cu33  1  0.697781  0.611039  0.326621  1
  Cu  Cu34  1  0.434066  0.082396  0.338531  1
  Cu  Cu35  1  0.364448  0.611039  0.326621  1
  Cu  Cu36  1  0.031114  0.611039  0.326621  1
  Cu  Cu37  1  0.494003  0.760370  0.369555  1
  Cu  Cu38  1  0.160670  0.760370  0.369555  1
  Cu  Cu39  1  0.091191  0.288311  0.356746  1
  Cu  Cu40  1  0.827337  0.760370  0.369555  1
  Cu  Cu41  1  0.757858  0.288311  0.356746  1
  Cu  Cu42  1  0.424525  0.288311  0.356746  1
  Cu  Cu43  1  0.904799  0.024787  0.363150  1
  Cu  Cu44  1  0.571466  0.024787  0.363150  1
  Cu  Cu45  1  0.501989  0.552703  0.350814  1
  Cu  Cu46  1  0.238132  0.024787  0.363150  1
  Cu  Cu47  1  0.168655  0.552703  0.350814  1
  Cu  Cu48  1  0.835322  0.552703  0.350814  1
  Cu  Cu49  1  0.297870  0.701495  0.394590  1
  Cu  Cu50  1  0.964536  0.701495  0.394590  1
  Cu  Cu51  1  0.895691  0.230440  0.382259  1
  Cu  Cu52  1  0.631203  0.701495  0.394590  1
  Cu  Cu53  1  0.562358  0.230440  0.382259  1
  Cu  Cu54  1  0.229025  0.230440  0.382259  1
  Cu  Cu55  1  0.708885  0.965897  0.388387  1
  Cu  Cu56  1  0.375551  0.965897  0.388387  1
  Cu  Cu57  1  0.306331  0.494736  0.376131  1
  Cu  Cu58  1  0.042218  0.965897  0.388387  1
  Cu  Cu59  1  0.972998  0.494736  0.376131  1
  Cu  Cu60  1  0.639664  0.494736  0.376131  1
  Cu  Cu61  1  0.102266  0.643454  0.419748  1
  Cu  Cu62  1  0.768933  0.643454  0.419748  1
  Cu  Cu63  1  0.700052  0.172363  0.407147  1
  Cu  Cu64  1  0.435600  0.643454  0.419748  1
  Cu  Cu65  1  0.366719  0.172363  0.407147  1
  Cu  Cu66  1  0.033386  0.172363  0.407147  1
  Cu  Cu67  1  0.513252  0.907998  0.413438  1
  Cu  Cu68  1  0.179919  0.907998  0.413438  1
  Cu  Cu69  1  0.110835  0.436580  0.400947  1
  Cu  Cu70  1  0.846585  0.907998  0.413438  1
  Cu  Cu71  1  0.777502  0.436580  0.400947  1
  Cu  Cu72  1  0.444168  0.436580  0.400947  1
  Cu  Cu73  1  0.906417  0.585135  0.444808  1
  Cu  Cu74  1  0.573084  0.585135  0.444808  1
  Cu  Cu75  1  0.504238  0.114099  0.432330  1
  Cu  Cu76  1  0.239751  0.585135  0.444808  1
  Cu  Cu77  1  0.170905  0.114099  0.432330  1
  Cu  Cu78  1  0.837571  0.114099  0.432330  1
  Cu  Cu79  1  0.317463  0.849629  0.438555  1
  Cu  Cu80  1  0.984130  0.849629  0.438555  1
  Cu  Cu81  1  0.915230  0.378621  0.426142  1
  Cu  Cu82  1  0.650796  0.849629  0.438555  1
  Cu  Cu83  1  0.581897  0.378621  0.426142  1
  Cu  Cu84  1  0.248564  0.378621  0.426142  1
  Cu  Cu85  1  0.710734  0.527023  0.469925  1
  Cu  Cu86  1  0.377400  0.527023  0.469925  1
  Cu  Cu87  1  0.308549  0.056006  0.457377  1
  Cu  Cu88  1  0.044067  0.527023  0.469925  1
  Cu  Cu89  1  0.975216  0.056006  0.457377  1
  Cu  Cu90  1  0.641882  0.056006  0.457377  1
  Cu  Cu91  1  0.121748  0.791530  0.463644  1
  Cu  Cu92  1  0.788415  0.791530  0.463644  1
  Cu  Cu93  1  0.719522  0.320454  0.451136  1
  Cu  Cu94  1  0.455082  0.791530  0.463644  1
  Cu  Cu95  1  0.386189  0.320454  0.451136  1
  Cu  Cu96  1  0.052855  0.320454  0.451136  1
  Cu  Cu97  1  0.514966  0.468805  0.495001  1
  Cu  Cu98  1  0.181632  0.468805  0.495001  1
  Cu  Cu99  1  0.112775  0.997779  0.482486  1
  Cu  Cu100  1  0.848299  0.468805  0.495001  1
  Cu  Cu101  1  0.779441  0.997779  0.482486  1
  Cu  Cu102  1  0.446108  0.997779  0.482486  1
  Cu  Cu103  1  0.925991  0.733304  0.488743  1
  Cu  Cu104  1  0.592658  0.733304  0.488743  1
  Cu  Cu105  1  0.523799  0.262301  0.476243  1
  Cu  Cu106  1  0.259325  0.733304  0.488743  1
  Cu  Cu107  1  0.190466  0.262301  0.476243  1
  Cu  Cu108  1  0.857132  0.262301  0.476243  1
  Cu  Cu109  1  0.319243  0.410658  0.520072  1
  Cu  Cu110  1  0.985910  0.410658  0.520072  1
  Cu  Cu111  1  0.917051  0.939655  0.507572  1
  Cu  Cu112  1  0.652577  0.410658  0.520072  1
  Cu  Cu113  1  0.583718  0.939655  0.507572  1
  Cu  Cu114  1  0.250384  0.939655  0.507572  1
  Cu  Cu115  1  0.730267  0.675179  0.513829  1
  Cu  Cu116  1  0.396934  0.675179  0.513829  1
  Cu  Cu117  1  0.328077  0.204153  0.501313  1
  Cu  Cu118  1  0.063601  0.675179  0.513829  1
  Cu  Cu119  1  0.994743  0.204153  0.501313  1
  Cu  Cu120  1  0.661410  0.204153  0.501313  1
  Cu  Cu121  1  0.123520  0.352505  0.545178  1
  Cu  Cu122  1  0.790187  0.352505  0.545178  1
  Cu  Cu123  1  0.721294  0.881428  0.532671  1
  Cu  Cu124  1  0.456854  0.352505  0.545178  1
  Cu  Cu125  1  0.387961  0.881428  0.532671  1
  Cu  Cu126  1  0.054627  0.881428  0.532671  1
  Cu  Cu127  1  0.534493  0.616952  0.538937  1
  Cu  Cu128  1  0.201160  0.616952  0.538937  1
  Cu  Cu129  1  0.132309  0.145935  0.526389  1
  Cu  Cu130  1  0.867827  0.616952  0.538937  1
  Cu  Cu131  1  0.798975  0.145935  0.526389  1
  Cu  Cu132  1  0.465642  0.145935  0.526389  1
  Cu  Cu133  1  0.927812  0.294337  0.570173  1
  Cu  Cu134  1  0.594479  0.294337  0.570173  1
  Cu  Cu135  1  0.525579  0.823330  0.557760  1
  Cu  Cu136  1  0.261145  0.294337  0.570173  1
  Cu  Cu137  1  0.192246  0.823330  0.557760  1
  Cu  Cu138  1  0.858913  0.823330  0.557760  1
  Cu  Cu139  1  0.338804  0.558859  0.563985  1
  Cu  Cu140  1  0.005471  0.558859  0.563985  1
  Cu  Cu141  1  0.936625  0.087823  0.551506  1
  Cu  Cu142  1  0.672138  0.558859  0.563985  1
  Cu  Cu143  1  0.603292  0.087823  0.551506  1
  Cu  Cu144  1  0.269958  0.087823  0.551506  1
  Cu  Cu145  1  0.732207  0.236379  0.595368  1
  Cu  Cu146  1  0.398874  0.236379  0.595368  1
  Cu  Cu147  1  0.329790  0.764960  0.582877  1
  Cu  Cu148  1  0.065541  0.236379  0.595368  1
  Cu  Cu149  1  0.996457  0.764960  0.582877  1
  Cu  Cu150  1  0.663124  0.764960  0.582877  1
  Cu  Cu151  1  0.142990  0.500595  0.589167  1
  Cu  Cu152  1  0.809656  0.500595  0.589167  1
  Cu  Cu153  1  0.740776  0.029505  0.576567  1
  Cu  Cu154  1  0.476323  0.500595  0.589167  1
  Cu  Cu155  1  0.407442  0.029505  0.576567  1
  Cu  Cu156  1  0.074109  0.029505  0.576567  1
  Cu  Cu157  1  0.536711  0.178223  0.620183  1
  Cu  Cu158  1  0.203378  0.178223  0.620183  1
  Cu  Cu159  1  0.134158  0.707061  0.607928  1
  Cu  Cu160  1  0.870045  0.178223  0.620183  1
  Cu  Cu161  1  0.800824  0.707061  0.607928  1
  Cu  Cu162  1  0.467491  0.707061  0.607928  1
  Cu  Cu163  1  0.947351  0.442518  0.614056  1
  Cu  Cu164  1  0.614018  0.442518  0.614056  1
  Cu  Cu165  1  0.545173  0.971463  0.601725  1
  Cu  Cu166  1  0.280684  0.442518  0.614056  1
  Cu  Cu167  1  0.211839  0.971463  0.601725  1
  Cu  Cu168  1  0.878506  0.971463  0.601725  1
  Cu  Cu169  1  0.341053  0.120255  0.645500  1
  Cu  Cu170  1  0.007720  0.120255  0.645500  1
  Cu  Cu171  1  0.938243  0.648172  0.633165  1
  Cu  Cu172  1  0.674387  0.120255  0.645500  1
  Cu  Cu173  1  0.604910  0.648172  0.633165  1
  Cu  Cu174  1  0.271577  0.648172  0.633165  1
  Cu  Cu175  1  0.751851  0.384648  0.639569  1
  Cu  Cu176  1  0.418518  0.384648  0.639569  1
  Cu  Cu177  1  0.349039  0.912588  0.626759  1
  Cu  Cu178  1  0.085184  0.384648  0.639569  1
  Cu  Cu179  1  0.015706  0.912588  0.626759  1
  Cu  Cu180  1  0.682372  0.912588  0.626759  1
  Cu  Cu181  1  0.145261  0.061919  0.669693  1
  Cu  Cu182  1  0.811928  0.061919  0.669693  1
  Cu  Cu183  1  0.742309  0.590562  0.657783  1
  Cu  Cu184  1  0.478595  0.061919  0.669693  1
  Cu  Cu185  1  0.408976  0.590562  0.657783  1
  Cu  Cu186  1  0.075643  0.590562  0.657783  1
  Cu  Cu187  1  0.556158  0.326415  0.663812  1
  Cu  Cu188  1  0.222825  0.326415  0.663812  1
  Cu  Cu189  1  0.154014  0.855110  0.651958  1
  Cu  Cu190  1  0.889491  0.326415  0.663812  1
  Cu  Cu191  1  0.820681  0.855110  0.651958  1
  Cu  Cu192  1  0.487347  0.855110  0.651958  1
  Cu  Cu193  1  0.949661  0.004504  0.695192  1
  Cu  Cu194  1  0.616328  0.004504  0.695192  1
  Cu  Cu195  1  0.547112  0.532766  0.683624  1
  Cu  Cu196  1  0.282994  0.004504  0.695192  1
  Cu  Cu197  1  0.213779  0.532766  0.683624  1
  Cu  Cu198  1  0.880446  0.532766  0.683624  1
  Cu  Cu199  1  0.360916  0.267729  0.689475  1
  Cu  Cu200  1  0.027582  0.267729  0.689475  1
  Cu  Cu201  1  0.957686  0.794802  0.676731  1
  Cu  Cu202  1  0.694249  0.267729  0.689475  1
  Cu  Cu203  1  0.624353  0.794802  0.676731  1
  Cu  Cu204  1  0.291020  0.794802  0.676731  1
  Cu  Cu205  1  0.754598  0.945609  0.717975  1
  Cu  Cu206  1  0.421265  0.945609  0.717975  1
  Cu  Cu207  1  0.351258  0.473478  0.706625  1
  Cu  Cu208  1  0.087931  0.945609  0.717975  1
  Cu  Cu209  1  0.017925  0.473478  0.706625  1
  Cu  Cu210  1  0.684591  0.473478  0.706625  1
  Cu  Cu211  1  0.164784  0.209257  0.712574  1
  Cu  Cu212  1  0.831450  0.209257  0.712574  1
  Cu  Cu213  1  0.765023  0.739099  0.701422  1
  Cu  Cu214  1  0.498117  0.209257  0.712574  1
  Cu  Cu215  1  0.431690  0.739099  0.701422  1
  Cu  Cu216  1  0.098357  0.739099  0.701422  1
