# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.08121102
_cell_length_b   11.54367067
_cell_length_c   47.63093715
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr60 Cu60'
_cell_volume   4593.05333593
_cell_formula_units_Z   60
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  0.136541  0.052463  0.299680  1
  Zr  Zr2  1  0.627381  0.052269  0.299348  1
  Zr  Zr3  1  0.560080  0.405332  0.288243  1
  Zr  Zr4  1  0.698885  0.683398  0.312653  1
  Zr  Zr5  1  0.060087  0.407544  0.288412  1
  Zr  Zr6  1  0.202520  0.689850  0.313161  1
  Zr  Zr7  1  0.835541  0.955357  0.344552  1
  Zr  Zr8  1  0.332625  0.949392  0.342176  1
  Zr  Zr9  1  0.264372  0.324716  0.327120  1
  Zr  Zr10  1  0.402815  0.595982  0.355404  1
  Zr  Zr11  1  0.771471  0.325673  0.327279  1
  Zr  Zr12  1  0.900775  0.594932  0.355327  1
  Zr  Zr13  1  0.536952  0.865511  0.383050  1
  Zr  Zr14  1  0.035867  0.865193  0.383073  1
  Zr  Zr15  1  0.973150  0.226989  0.370339  1
  Zr  Zr16  1  0.109794  0.498232  0.402176  1
  Zr  Zr17  1  0.474687  0.229684  0.372565  1
  Zr  Zr18  1  0.608829  0.496577  0.401705  1
  Zr  Zr19  1  0.246074  0.770192  0.429678  1
  Zr  Zr20  1  0.746210  0.769790  0.429770  1
  Zr  Zr21  1  0.669793  0.137838  0.413665  1
  Zr  Zr22  1  0.810098  0.411399  0.443317  1
  Zr  Zr23  1  0.174045  0.139475  0.413776  1
  Zr  Zr24  1  0.305664  0.410081  0.443208  1
  Zr  Zr25  1  0.942358  0.681946  0.471646  1
  Zr  Zr26  1  0.444494  0.682564  0.471821  1
  Zr  Zr27  1  0.380643  0.038660  0.459344  1
  Zr  Zr28  1  0.518366  0.314477  0.489636  1
  Zr  Zr29  1  0.881526  0.041324  0.460272  1
  Zr  Zr30  1  0.017553  0.311941  0.488487  1
  Zr  Zr31  1  0.652984  0.582279  0.517869  1
  Zr  Zr32  1  0.153639  0.584072  0.518720  1
  Zr  Zr33  1  0.078874  0.952862  0.500910  1
  Zr  Zr34  1  0.216275  0.225198  0.530071  1
  Zr  Zr35  1  0.578836  0.952523  0.500676  1
  Zr  Zr36  1  0.714198  0.225071  0.530064  1
  Zr  Zr37  1  0.348464  0.495335  0.560171  1
  Zr  Zr38  1  0.852337  0.496206  0.560183  1
  Zr  Zr39  1  0.790384  0.856311  0.546735  1
  Zr  Zr40  1  0.924954  0.126339  0.576362  1
  Zr  Zr41  1  0.289417  0.854586  0.546002  1
  Zr  Zr42  1  0.425858  0.127073  0.576425  1
  Zr  Zr43  1  0.060982  0.400369  0.606168  1
  Zr  Zr44  1  0.561201  0.402492  0.606852  1
  Zr  Zr45  1  0.488328  0.768486  0.588169  1
  Zr  Zr46  1  0.622152  0.037739  0.618599  1
  Zr  Zr47  1  0.984949  0.767642  0.588095  1
  Zr  Zr48  1  0.122647  0.038487  0.619063  1
  Zr  Zr49  1  0.760705  0.314313  0.645992  1
  Zr  Zr50  1  0.264061  0.313381  0.645974  1
  Zr  Zr51  1  0.194661  0.670029  0.635568  1
  Zr  Zr52  1  0.329693  0.941722  0.660250  1
  Zr  Zr53  1  0.693907  0.667630  0.634232  1
  Zr  Zr54  1  0.831001  0.944154  0.662362  1
  Zr  Zr55  1  0.469364  0.219503  0.692478  1
  Zr  Zr56  1  0.962089  0.206756  0.691325  1
  Zr  Zr57  1  0.903659  0.580521  0.677344  1
  Zr  Zr58  1  0.031829  0.862712  0.702160  1
  Zr  Zr59  1  0.388833  0.580413  0.677379  1
  Zr  Zr60  1  0.543920  0.863711  0.702094  1
  Cu  Cu61  1  0.447264  0.183105  0.317033  1
  Cu  Cu62  1  0.938348  0.168417  0.312507  1
  Cu  Cu63  1  0.888009  0.557980  0.298691  1
  Cu  Cu64  1  0.007332  0.818411  0.322477  1
  Cu  Cu65  1  0.384644  0.556548  0.298873  1
  Cu  Cu66  1  0.816759  0.920655  0.290661  1
  Cu  Cu67  1  0.165731  0.098171  0.355150  1
  Cu  Cu68  1  0.654235  0.098281  0.354711  1
  Cu  Cu69  1  0.580946  0.457201  0.343777  1
  Cu  Cu70  1  0.712057  0.719556  0.371919  1
  Cu  Cu71  1  0.086439  0.464806  0.344271  1
  Cu  Cu72  1  0.527713  0.819162  0.322464  1
  Cu  Cu73  1  0.851633  1.000227  0.403434  1
  Cu  Cu74  1  0.347242  0.995055  0.401096  1
  Cu  Cu75  1  0.295038  0.370027  0.384138  1
  Cu  Cu76  1  0.435241  0.641189  0.412894  1
  Cu  Cu77  1  0.800509  0.369343  0.384515  1
  Cu  Cu78  1  0.211567  0.719948  0.372440  1
  Cu  Cu79  1  0.570611  0.910029  0.440870  1
  Cu  Cu80  1  0.068401  0.911173  0.440934  1
  Cu  Cu81  1  0.980015  0.263742  0.430261  1
  Cu  Cu82  1  0.121836  0.543350  0.461564  1
  Cu  Cu83  1  0.485686  0.269545  0.432758  1
  Cu  Cu84  1  0.933605  0.640948  0.412628  1
  Cu  Cu85  1  0.251979  0.807315  0.488965  1
  Cu  Cu86  1  0.754086  0.808869  0.489520  1
  Cu  Cu87  1  0.703891  0.184384  0.470837  1
  Cu  Cu88  1  0.845626  0.456783  0.500666  1
  Cu  Cu89  1  0.209207  0.183178  0.471025  1
  Cu  Cu90  1  0.617821  0.539005  0.460375  1
  Cu  Cu91  1  0.975717  0.724731  0.528895  1
  Cu  Cu92  1  0.479671  0.724774  0.529212  1
  Cu  Cu93  1  0.390047  0.081575  0.518662  1
  Cu  Cu94  1  0.528095  0.356396  0.549518  1
  Cu  Cu95  1  0.890544  0.083570  0.519307  1
  Cu  Cu96  1  0.341143  0.457284  0.500489  1
  Cu  Cu97  1  0.660551  0.623909  0.576286  1
  Cu  Cu98  1  0.164625  0.628890  0.578108  1
  Cu  Cu99  1  0.116617  0.998989  0.558911  1
  Cu  Cu100  1  0.248617  0.266918  0.587262  1
  Cu  Cu101  1  0.613548  0.998397  0.558393  1
  Cu  Cu102  1  0.024729  0.351685  0.548193  1
  Cu  Cu103  1  0.383040  0.546897  0.617692  1
  Cu  Cu104  1  0.887859  0.546335  0.617680  1
  Cu  Cu105  1  0.798497  0.896024  0.605854  1
  Cu  Cu106  1  0.936946  0.172487  0.634950  1
  Cu  Cu107  1  0.294705  0.892327  0.603950  1
  Cu  Cu108  1  0.747356  0.268349  0.587342  1
  Cu  Cu109  1  0.072481  0.434481  0.667720  1
  Cu  Cu110  1  0.579743  0.450163  0.669181  1
  Cu  Cu111  1  0.517043  0.803976  0.646176  1
  Cu  Cu112  1  0.646080  0.093416  0.676950  1
  Cu  Cu113  1  0.009389  0.804110  0.646061  1
  Cu  Cu114  1  0.438706  0.171665  0.635729  1
  Cu  Cu115  1  0.786215  0.346441  0.700155  1
  Cu  Cu116  1  0.277852  0.346139  0.700093  1
  Cu  Cu117  1  0.222704  0.734163  0.693678  1
  Cu  Cu118  1  0.346666  0.983082  0.713840  1
  Cu  Cu119  1  0.708626  0.706580  0.690003  1
  Cu  Cu120  1  0.167719  0.093280  0.677813  1
