# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.99952678
_cell_length_b   11.60294827
_cell_length_c   48.08298213
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.81577052
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr144 Cu144'
_cell_volume   10924.017256
_cell_formula_units_Z   144
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
  Zr  Zr1  1  0.680370  0.788444  0.318846  1
  Zr  Zr2  1  0.347036  0.788444  0.318846  1
  Zr  Zr3  1  0.544368  0.485867  0.287532  1
  Zr  Zr4  1  0.695822  0.380863  0.302505  1
  Zr  Zr5  1  0.013703  0.788444  0.318846  1
  Zr  Zr6  1  0.211035  0.485867  0.287532  1
  Zr  Zr7  1  0.362489  0.380863  0.302505  1
  Zr  Zr8  1  0.513703  0.288444  0.318846  1
  Zr  Zr9  1  0.711035  0.985867  0.287532  1
  Zr  Zr10  1  0.877701  0.485867  0.287532  1
  Zr  Zr11  1  0.029155  0.380863  0.302505  1
  Zr  Zr12  1  0.180370  0.288444  0.318846  1
  Zr  Zr13  1  0.377701  0.985867  0.287532  1
  Zr  Zr14  1  0.529155  0.880863  0.302505  1
  Zr  Zr15  1  0.847036  0.288444  0.318846  1
  Zr  Zr16  1  0.044368  0.985867  0.287532  1
  Zr  Zr17  1  0.195822  0.880863  0.302505  1
  Zr  Zr18  1  0.862489  0.880863  0.302505  1
  Zr  Zr19  1  0.639928  0.980753  0.374014  1
  Zr  Zr20  1  0.306595  0.980753  0.374014  1
  Zr  Zr21  1  0.508216  0.664458  0.339872  1
  Zr  Zr22  1  0.657399  0.572592  0.357223  1
  Zr  Zr23  1  0.973262  0.980753  0.374014  1
  Zr  Zr24  1  0.174882  0.664458  0.339872  1
  Zr  Zr25  1  0.324065  0.572592  0.357223  1
  Zr  Zr26  1  0.473262  0.480753  0.374014  1
  Zr  Zr27  1  0.674882  0.164458  0.339872  1
  Zr  Zr28  1  0.841549  0.664458  0.339872  1
  Zr  Zr29  1  0.990732  0.572592  0.357223  1
  Zr  Zr30  1  0.139928  0.480753  0.374014  1
  Zr  Zr31  1  0.341549  0.164458  0.339872  1
  Zr  Zr32  1  0.490732  0.072592  0.357223  1
  Zr  Zr33  1  0.806595  0.480753  0.374014  1
  Zr  Zr34  1  0.008216  0.164458  0.339872  1
  Zr  Zr35  1  0.157399  0.072592  0.357223  1
  Zr  Zr36  1  0.824065  0.072592  0.357223  1
  Zr  Zr37  1  0.600949  0.170171  0.430825  1
  Zr  Zr38  1  0.267615  0.170171  0.430825  1
  Zr  Zr39  1  0.468639  0.855568  0.397129  1
  Zr  Zr40  1  0.618196  0.763256  0.413952  1
  Zr  Zr41  1  0.934282  0.170171  0.430825  1
  Zr  Zr42  1  0.135306  0.855568  0.397129  1
  Zr  Zr43  1  0.284863  0.763256  0.413952  1
  Zr  Zr44  1  0.434282  0.670171  0.430825  1
  Zr  Zr45  1  0.635306  0.355568  0.397129  1
  Zr  Zr46  1  0.801973  0.855568  0.397129  1
  Zr  Zr47  1  0.951530  0.763256  0.413952  1
  Zr  Zr48  1  0.100949  0.670171  0.430825  1
  Zr  Zr49  1  0.301973  0.355568  0.397129  1
  Zr  Zr50  1  0.451530  0.263256  0.413952  1
  Zr  Zr51  1  0.767615  0.670171  0.430825  1
  Zr  Zr52  1  0.968639  0.355568  0.397129  1
  Zr  Zr53  1  0.118196  0.263256  0.413952  1
  Zr  Zr54  1  0.784863  0.263256  0.413952  1
  Zr  Zr55  1  0.561376  0.361265  0.487228  1
  Zr  Zr56  1  0.228042  0.361265  0.487228  1
  Zr  Zr57  1  0.429273  0.046165  0.453796  1
  Zr  Zr58  1  0.578630  0.953696  0.470507  1
  Zr  Zr59  1  0.894709  0.361265  0.487228  1
  Zr  Zr60  1  0.095939  0.046165  0.453796  1
  Zr  Zr61  1  0.245297  0.953696  0.470507  1
  Zr  Zr62  1  0.394709  0.861265  0.487228  1
  Zr  Zr63  1  0.595939  0.546165  0.453796  1
  Zr  Zr64  1  0.762606  0.046165  0.453796  1
  Zr  Zr65  1  0.911963  0.953696  0.470507  1
  Zr  Zr66  1  0.061376  0.861265  0.487228  1
  Zr  Zr67  1  0.262606  0.546165  0.453796  1
  Zr  Zr68  1  0.411963  0.453696  0.470507  1
  Zr  Zr69  1  0.728042  0.861265  0.487228  1
  Zr  Zr70  1  0.929273  0.546165  0.453796  1
  Zr  Zr71  1  0.078630  0.453696  0.470507  1
  Zr  Zr72  1  0.745297  0.453696  0.470507  1
  Zr  Zr73  1  0.521715  0.552273  0.543560  1
  Zr  Zr74  1  0.188382  0.552273  0.543560  1
  Zr  Zr75  1  0.389612  0.237173  0.510129  1
  Zr  Zr76  1  0.539025  0.144742  0.526849  1
  Zr  Zr77  1  0.855049  0.552273  0.543560  1
  Zr  Zr78  1  0.056279  0.237173  0.510129  1
  Zr  Zr79  1  0.205691  0.144742  0.526849  1
  Zr  Zr80  1  0.355049  0.052273  0.543560  1
  Zr  Zr81  1  0.556279  0.737173  0.510129  1
  Zr  Zr82  1  0.722945  0.237173  0.510129  1
  Zr  Zr83  1  0.872358  0.144742  0.526849  1
  Zr  Zr84  1  0.021715  0.052273  0.543560  1
  Zr  Zr85  1  0.222945  0.737173  0.510129  1
  Zr  Zr86  1  0.372358  0.644742  0.526849  1
  Zr  Zr87  1  0.688382  0.052273  0.543560  1
  Zr  Zr88  1  0.889612  0.737173  0.510129  1
  Zr  Zr89  1  0.039025  0.644742  0.526849  1
  Zr  Zr90  1  0.705691  0.644742  0.526849  1
  Zr  Zr91  1  0.482349  0.742871  0.600227  1
  Zr  Zr92  1  0.149015  0.742871  0.600227  1
  Zr  Zr93  1  0.350039  0.428267  0.566532  1
  Zr  Zr94  1  0.499458  0.335182  0.583404  1
  Zr  Zr95  1  0.815682  0.742871  0.600227  1
  Zr  Zr96  1  0.016706  0.428267  0.566532  1
  Zr  Zr97  1  0.166125  0.335182  0.583404  1
  Zr  Zr98  1  0.315682  0.242871  0.600227  1
  Zr  Zr99  1  0.516706  0.928267  0.566532  1
  Zr  Zr100  1  0.683373  0.428267  0.566532  1
  Zr  Zr101  1  0.832792  0.335182  0.583404  1
  Zr  Zr102  1  0.982349  0.242871  0.600227  1
  Zr  Zr103  1  0.183373  0.928267  0.566532  1
  Zr  Zr104  1  0.332792  0.835182  0.583404  1
  Zr  Zr105  1  0.649015  0.242871  0.600227  1
  Zr  Zr106  1  0.850039  0.928267  0.566532  1
  Zr  Zr107  1  0.999458  0.835182  0.583404  1
  Zr  Zr108  1  0.666125  0.835182  0.583404  1
  Zr  Zr109  1  0.442772  0.933980  0.657484  1
  Zr  Zr110  1  0.109439  0.933980  0.657484  1
  Zr  Zr111  1  0.311060  0.617685  0.623342  1
  Zr  Zr112  1  0.460256  0.525846  0.640134  1
  Zr  Zr113  1  0.776106  0.933980  0.657484  1
  Zr  Zr114  1  0.977726  0.617685  0.623342  1
  Zr  Zr115  1  0.126922  0.525846  0.640134  1
  Zr  Zr116  1  0.276106  0.433980  0.657484  1
  Zr  Zr117  1  0.477726  0.117685  0.623342  1
  Zr  Zr118  1  0.644393  0.617685  0.623342  1
  Zr  Zr119  1  0.793589  0.525846  0.640134  1
  Zr  Zr120  1  0.942772  0.433980  0.657484  1
  Zr  Zr121  1  0.144393  0.117685  0.623342  1
  Zr  Zr122  1  0.293589  0.025846  0.640134  1
  Zr  Zr123  1  0.609439  0.433980  0.657484  1
  Zr  Zr124  1  0.811060  0.117685  0.623342  1
  Zr  Zr125  1  0.960256  0.025846  0.640134  1
  Zr  Zr126  1  0.626922  0.025846  0.640134  1
  Zr  Zr127  1  0.406620  0.112571  0.709824  1
  Zr  Zr128  1  0.073287  0.112571  0.709824  1
  Zr  Zr129  1  0.270618  0.809994  0.678510  1
  Zr  Zr130  1  0.421833  0.717576  0.694851  1
  Zr  Zr131  1  0.739953  0.112571  0.709824  1
  Zr  Zr132  1  0.937285  0.809994  0.678510  1
  Zr  Zr133  1  0.088499  0.717576  0.694851  1
  Zr  Zr134  1  0.239953  0.612571  0.709824  1
  Zr  Zr135  1  0.437285  0.309994  0.678510  1
  Zr  Zr136  1  0.603952  0.809994  0.678510  1
  Zr  Zr137  1  0.755166  0.717576  0.694851  1
  Zr  Zr138  1  0.906620  0.612571  0.709824  1
  Zr  Zr139  1  0.103952  0.309994  0.678510  1
  Zr  Zr140  1  0.255166  0.217576  0.694851  1
  Zr  Zr141  1  0.573287  0.612571  0.709824  1
  Zr  Zr142  1  0.770618  0.309994  0.678510  1
  Zr  Zr143  1  0.921833  0.217576  0.694851  1
  Zr  Zr144  1  0.588499  0.217576  0.694851  1
  Cu  Cu145  1  0.592125  0.044641  0.315870  1
  Cu  Cu146  1  0.258792  0.044641  0.315870  1
  Cu  Cu147  1  0.462116  0.728992  0.286159  1
  Cu  Cu148  1  0.615066  0.632819  0.301051  1
  Cu  Cu149  1  0.925459  0.044641  0.315870  1
  Cu  Cu150  1  0.128783  0.728992  0.286159  1
  Cu  Cu151  1  0.281732  0.632819  0.301051  1
  Cu  Cu152  1  0.425459  0.544641  0.315870  1
  Cu  Cu153  1  0.628783  0.228992  0.286159  1
  Cu  Cu154  1  0.795449  0.728992  0.286159  1
  Cu  Cu155  1  0.948399  0.632819  0.301051  1
  Cu  Cu156  1  0.092125  0.544641  0.315870  1
  Cu  Cu157  1  0.295449  0.228992  0.286159  1
  Cu  Cu158  1  0.448399  0.132819  0.301051  1
  Cu  Cu159  1  0.758792  0.544641  0.315870  1
  Cu  Cu160  1  0.962116  0.228992  0.286159  1
  Cu  Cu161  1  0.115066  0.132819  0.301051  1
  Cu  Cu162  1  0.781732  0.132819  0.301051  1
  Cu  Cu163  1  0.555824  0.234067  0.373958  1
  Cu  Cu164  1  0.222491  0.234067  0.373958  1
  Cu  Cu165  1  0.426878  0.908653  0.341687  1
  Cu  Cu166  1  0.574391  0.821488  0.357703  1
  Cu  Cu167  1  0.889157  0.234067  0.373958  1
  Cu  Cu168  1  0.093544  0.908653  0.341687  1
  Cu  Cu169  1  0.241058  0.821488  0.357703  1
  Cu  Cu170  1  0.389157  0.734067  0.373958  1
  Cu  Cu171  1  0.593544  0.408653  0.341687  1
  Cu  Cu172  1  0.760211  0.908653  0.341687  1
  Cu  Cu173  1  0.907724  0.821488  0.357703  1
  Cu  Cu174  1  0.055824  0.734067  0.373958  1
  Cu  Cu175  1  0.260211  0.408653  0.341687  1
  Cu  Cu176  1  0.407724  0.321488  0.357703  1
  Cu  Cu177  1  0.722491  0.734067  0.373958  1
  Cu  Cu178  1  0.926878  0.408653  0.341687  1
  Cu  Cu179  1  0.074391  0.321488  0.357703  1
  Cu  Cu180  1  0.741058  0.321488  0.357703  1
  Cu  Cu181  1  0.516016  0.425208  0.429818  1
  Cu  Cu182  1  0.182682  0.425208  0.429818  1
  Cu  Cu183  1  0.386850  0.101094  0.398252  1
  Cu  Cu184  1  0.534607  0.013212  0.414011  1
  Cu  Cu185  1  0.849349  0.425208  0.429818  1
  Cu  Cu186  1  0.053517  0.101094  0.398252  1
  Cu  Cu187  1  0.201273  0.013212  0.414011  1
  Cu  Cu188  1  0.349349  0.925208  0.429818  1
  Cu  Cu189  1  0.553517  0.601094  0.398252  1
  Cu  Cu190  1  0.720184  0.101094  0.398252  1
  Cu  Cu191  1  0.867940  0.013212  0.414011  1
  Cu  Cu192  1  0.016016  0.925208  0.429818  1
  Cu  Cu193  1  0.220184  0.601094  0.398252  1
  Cu  Cu194  1  0.367940  0.513212  0.414011  1
  Cu  Cu195  1  0.682682  0.925208  0.429818  1
  Cu  Cu196  1  0.886850  0.601094  0.398252  1
  Cu  Cu197  1  0.034607  0.513212  0.414011  1
  Cu  Cu198  1  0.701273  0.513212  0.414011  1
  Cu  Cu199  1  0.476373  0.616039  0.486333  1
  Cu  Cu200  1  0.143039  0.616039  0.486333  1
  Cu  Cu201  1  0.347529  0.291531  0.454366  1
  Cu  Cu202  1  0.495229  0.203868  0.470387  1
  Cu  Cu203  1  0.809706  0.616039  0.486333  1
  Cu  Cu204  1  0.014195  0.291531  0.454366  1
  Cu  Cu205  1  0.161895  0.203868  0.470387  1
  Cu  Cu206  1  0.309706  0.116039  0.486333  1
  Cu  Cu207  1  0.514195  0.791531  0.454366  1
  Cu  Cu208  1  0.680862  0.291531  0.454366  1
  Cu  Cu209  1  0.828562  0.203868  0.470387  1
  Cu  Cu210  1  0.976373  0.116039  0.486333  1
  Cu  Cu211  1  0.180862  0.791531  0.454366  1
  Cu  Cu212  1  0.328562  0.703868  0.470387  1
  Cu  Cu213  1  0.643039  0.116039  0.486333  1
  Cu  Cu214  1  0.847529  0.791531  0.454366  1
  Cu  Cu215  1  0.995229  0.703868  0.470387  1
  Cu  Cu216  1  0.661895  0.703868  0.470387  1
  Cu  Cu217  1  0.436793  0.806907  0.542990  1
  Cu  Cu218  1  0.103459  0.806907  0.542990  1
  Cu  Cu219  1  0.307949  0.482399  0.511023  1
  Cu  Cu220  1  0.455759  0.394570  0.526969  1
  Cu  Cu221  1  0.770126  0.806907  0.542990  1
  Cu  Cu222  1  0.974615  0.482399  0.511023  1
  Cu  Cu223  1  0.122426  0.394570  0.526969  1
  Cu  Cu224  1  0.270126  0.306907  0.542990  1
  Cu  Cu225  1  0.474615  0.982399  0.511023  1
  Cu  Cu226  1  0.641282  0.482399  0.511023  1
  Cu  Cu227  1  0.789093  0.394570  0.526969  1
  Cu  Cu228  1  0.936793  0.306907  0.542990  1
  Cu  Cu229  1  0.141282  0.982399  0.511023  1
  Cu  Cu230  1  0.289093  0.894570  0.526969  1
  Cu  Cu231  1  0.603459  0.306907  0.542990  1
  Cu  Cu232  1  0.807949  0.982399  0.511023  1
  Cu  Cu233  1  0.955759  0.894570  0.526969  1
  Cu  Cu234  1  0.622426  0.894570  0.526969  1
  Cu  Cu235  1  0.397471  0.997344  0.599104  1
  Cu  Cu236  1  0.064138  0.997344  0.599104  1
  Cu  Cu237  1  0.268306  0.673230  0.567539  1
  Cu  Cu238  1  0.416381  0.585227  0.583345  1
  Cu  Cu239  1  0.730804  0.997344  0.599104  1
  Cu  Cu240  1  0.934972  0.673230  0.567539  1
  Cu  Cu241  1  0.083048  0.585227  0.583345  1
  Cu  Cu242  1  0.230804  0.497344  0.599104  1
  Cu  Cu243  1  0.434972  0.173230  0.567539  1
  Cu  Cu244  1  0.601639  0.673230  0.567539  1
  Cu  Cu245  1  0.749715  0.585227  0.583345  1
  Cu  Cu246  1  0.897471  0.497344  0.599104  1
  Cu  Cu247  1  0.101639  0.173230  0.567539  1
  Cu  Cu248  1  0.249715  0.085227  0.583345  1
  Cu  Cu249  1  0.564138  0.497344  0.599104  1
  Cu  Cu250  1  0.768306  0.173230  0.567539  1
  Cu  Cu251  1  0.916381  0.085227  0.583345  1
  Cu  Cu252  1  0.583048  0.085227  0.583345  1
  Cu  Cu253  1  0.357444  0.189786  0.655669  1
  Cu  Cu254  1  0.024110  0.189786  0.655669  1
  Cu  Cu255  1  0.228497  0.864371  0.623398  1
  Cu  Cu256  1  0.376597  0.776951  0.639653  1
  Cu  Cu257  1  0.690777  0.189786  0.655669  1
  Cu  Cu258  1  0.895164  0.864371  0.623398  1
  Cu  Cu259  1  0.043264  0.776951  0.639653  1
  Cu  Cu260  1  0.190777  0.689786  0.655669  1
  Cu  Cu261  1  0.395164  0.364371  0.623398  1
  Cu  Cu262  1  0.561831  0.864371  0.623398  1
  Cu  Cu263  1  0.709930  0.776951  0.639653  1
  Cu  Cu264  1  0.857444  0.689786  0.655669  1
  Cu  Cu265  1  0.061831  0.364371  0.623398  1
  Cu  Cu266  1  0.209930  0.276951  0.639653  1
  Cu  Cu267  1  0.524110  0.689786  0.655669  1
  Cu  Cu268  1  0.728497  0.364371  0.623398  1
  Cu  Cu269  1  0.876597  0.276951  0.639653  1
  Cu  Cu270  1  0.543264  0.276951  0.639653  1
  Cu  Cu271  1  0.322205  0.369447  0.711197  1
  Cu  Cu272  1  0.988872  0.369447  0.711197  1
  Cu  Cu273  1  0.192196  0.053797  0.681486  1
  Cu  Cu274  1  0.335922  0.965619  0.696305  1
  Cu  Cu275  1  0.655539  0.369447  0.711197  1
  Cu  Cu276  1  0.858863  0.053797  0.681486  1
  Cu  Cu277  1  0.002589  0.965619  0.696305  1
  Cu  Cu278  1  0.155539  0.869447  0.711197  1
  Cu  Cu279  1  0.358863  0.553797  0.681486  1
  Cu  Cu280  1  0.525529  0.053797  0.681486  1
  Cu  Cu281  1  0.669256  0.965619  0.696305  1
  Cu  Cu282  1  0.822205  0.869447  0.711197  1
  Cu  Cu283  1  0.025529  0.553797  0.681486  1
  Cu  Cu284  1  0.169256  0.465619  0.696305  1
  Cu  Cu285  1  0.488872  0.869447  0.711197  1
  Cu  Cu286  1  0.692196  0.553797  0.681486  1
  Cu  Cu287  1  0.835922  0.465619  0.696305  1
  Cu  Cu288  1  0.502589  0.465619  0.696305  1
