# generated using pymatgen
data_Zr199Cu100
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.11482231
_cell_length_b   16.11482231
_cell_length_c   21.85149872
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr199Cu100
_chemical_formula_sum   'Zr199 Cu100'
_cell_volume   5674.56103023
_cell_formula_units_Z   1
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  0.099328  0.099328  0.675261  1
  Zr  Zr2  1  0.099328  0.297678  0.177730  1
  Zr  Zr3  1  0.099328  0.299246  0.677417  1
  Zr  Zr4  1  0.099328  0.500904  0.175531  1
  Zr  Zr5  1  0.099328  0.500452  0.675981  1
  Zr  Zr6  1  0.099328  0.697751  0.175531  1
  Zr  Zr7  1  0.099328  0.698203  0.675981  1
  Zr  Zr8  1  0.099328  0.900977  0.177730  1
  Zr  Zr9  1  0.099328  0.899410  0.677417  1
  Zr  Zr10  1  0.297678  0.099328  0.177730  1
  Zr  Zr11  1  0.299246  0.099328  0.677417  1
  Zr  Zr12  1  0.299196  0.299196  0.180339  1
  Zr  Zr13  1  0.299232  0.299232  0.679448  1
  Zr  Zr14  1  0.298961  0.499985  0.177980  1
  Zr  Zr15  1  0.299168  0.500356  0.678155  1
  Zr  Zr16  1  0.298961  0.698671  0.177980  1
  Zr  Zr17  1  0.299168  0.698300  0.678155  1
  Zr  Zr18  1  0.299196  0.899460  0.180339  1
  Zr  Zr19  1  0.299232  0.899424  0.679448  1
  Zr  Zr20  1  0.500904  0.099328  0.175531  1
  Zr  Zr21  1  0.500452  0.099328  0.675981  1
  Zr  Zr22  1  0.499985  0.298961  0.177980  1
  Zr  Zr23  1  0.500356  0.299168  0.678155  1
  Zr  Zr24  1  0.499930  0.499930  0.176741  1
  Zr  Zr25  1  0.500259  0.500259  0.676751  1
  Zr  Zr26  1  0.499930  0.698725  0.176741  1
  Zr  Zr27  1  0.500259  0.698396  0.676751  1
  Zr  Zr28  1  0.499985  0.899695  0.177980  1
  Zr  Zr29  1  0.500356  0.899487  0.678155  1
  Zr  Zr30  1  0.697751  0.099328  0.175531  1
  Zr  Zr31  1  0.698203  0.099328  0.675981  1
  Zr  Zr32  1  0.698671  0.298961  0.177980  1
  Zr  Zr33  1  0.698300  0.299168  0.678155  1
  Zr  Zr34  1  0.698725  0.499930  0.176741  1
  Zr  Zr35  1  0.698396  0.500259  0.676751  1
  Zr  Zr36  1  0.698725  0.698725  0.176741  1
  Zr  Zr37  1  0.698396  0.698396  0.676751  1
  Zr  Zr38  1  0.698671  0.899695  0.177980  1
  Zr  Zr39  1  0.698300  0.899487  0.678155  1
  Zr  Zr40  1  0.900977  0.099328  0.177730  1
  Zr  Zr41  1  0.899410  0.099328  0.677417  1
  Zr  Zr42  1  0.899460  0.299196  0.180339  1
  Zr  Zr43  1  0.899424  0.299232  0.679448  1
  Zr  Zr44  1  0.899695  0.499985  0.177980  1
  Zr  Zr45  1  0.899487  0.500356  0.678155  1
  Zr  Zr46  1  0.899695  0.698671  0.177980  1
  Zr  Zr47  1  0.899487  0.698300  0.678155  1
  Zr  Zr48  1  0.899460  0.899460  0.180339  1
  Zr  Zr49  1  0.899424  0.899424  0.679448  1
  Zr  Zr50  1  0.000143  0.000143  0.074785  1
  Zr  Zr51  1  0.998485  0.998485  0.573981  1
  Zr  Zr52  1  0.000143  0.198512  0.074785  1
  Zr  Zr53  1  0.998485  0.200170  0.573981  1
  Zr  Zr54  1  0.998955  0.397576  0.075355  1
  Zr  Zr55  1  0.998419  0.399082  0.575144  1
  Zr  Zr56  1  0.998620  0.599328  0.072736  1
  Zr  Zr57  1  0.998754  0.599328  0.572269  1
  Zr  Zr58  1  0.998955  0.801079  0.075355  1
  Zr  Zr59  1  0.998419  0.799574  0.575144  1
  Zr  Zr60  1  0.198512  0.000143  0.074785  1
  Zr  Zr61  1  0.200170  0.998485  0.573981  1
  Zr  Zr62  1  0.198512  0.198512  0.074785  1
  Zr  Zr63  1  0.200170  0.200170  0.573981  1
  Zr  Zr64  1  0.199700  0.397576  0.075355  1
  Zr  Zr65  1  0.200236  0.399082  0.575144  1
  Zr  Zr66  1  0.200036  0.599328  0.072736  1
  Zr  Zr67  1  0.199901  0.599328  0.572269  1
  Zr  Zr68  1  0.199700  0.801079  0.075355  1
  Zr  Zr69  1  0.200236  0.799574  0.575144  1
  Zr  Zr70  1  0.397576  0.998955  0.075355  1
  Zr  Zr71  1  0.399082  0.998419  0.575144  1
  Zr  Zr72  1  0.397576  0.199700  0.075355  1
  Zr  Zr73  1  0.399082  0.200236  0.575144  1
  Zr  Zr74  1  0.398529  0.398529  0.076198  1
  Zr  Zr75  1  0.399060  0.399060  0.576236  1
  Zr  Zr76  1  0.398681  0.599328  0.073953  1
  Zr  Zr77  1  0.398716  0.599328  0.573629  1
  Zr  Zr78  1  0.398529  0.800126  0.076198  1
  Zr  Zr79  1  0.399060  0.799595  0.576236  1
  Zr  Zr80  1  0.599328  0.998620  0.072736  1
  Zr  Zr81  1  0.599328  0.998754  0.572269  1
  Zr  Zr82  1  0.599328  0.200036  0.072736  1
  Zr  Zr83  1  0.599328  0.199901  0.572269  1
  Zr  Zr84  1  0.599328  0.398681  0.073953  1
  Zr  Zr85  1  0.599328  0.398716  0.573629  1
  Zr  Zr86  1  0.599328  0.599328  0.072244  1
  Zr  Zr87  1  0.599328  0.599328  0.571561  1
  Zr  Zr88  1  0.599328  0.799975  0.073953  1
  Zr  Zr89  1  0.599328  0.799939  0.573629  1
  Zr  Zr90  1  0.801079  0.998955  0.075355  1
  Zr  Zr91  1  0.799574  0.998419  0.575144  1
  Zr  Zr92  1  0.801079  0.199700  0.075355  1
  Zr  Zr93  1  0.799574  0.200236  0.575144  1
  Zr  Zr94  1  0.800126  0.398529  0.076198  1
  Zr  Zr95  1  0.799595  0.399060  0.576236  1
  Zr  Zr96  1  0.799975  0.599328  0.073953  1
  Zr  Zr97  1  0.799939  0.599328  0.573629  1
  Zr  Zr98  1  0.800126  0.800126  0.076198  1
  Zr  Zr99  1  0.799595  0.799595  0.576236  1
  Zr  Zr100  1  0.998649  0.998649  0.429249  1
  Zr  Zr101  1  0.998526  0.998526  0.927737  1
  Zr  Zr102  1  0.998649  0.200006  0.429249  1
  Zr  Zr103  1  0.998526  0.200129  0.927737  1
  Zr  Zr104  1  0.998495  0.398040  0.426417  1
  Zr  Zr105  1  0.999091  0.398448  0.927178  1
  Zr  Zr106  1  0.998648  0.599328  0.429116  1
  Zr  Zr107  1  0.998958  0.599328  0.929213  1
  Zr  Zr108  1  0.998495  0.800616  0.426417  1
  Zr  Zr109  1  0.999091  0.800208  0.927178  1
  Zr  Zr110  1  0.200006  0.998649  0.429249  1
  Zr  Zr111  1  0.200129  0.998526  0.927737  1
  Zr  Zr112  1  0.200006  0.200006  0.429249  1
  Zr  Zr113  1  0.200129  0.200129  0.927737  1
  Zr  Zr114  1  0.200160  0.398040  0.426417  1
  Zr  Zr115  1  0.199564  0.398448  0.927178  1
  Zr  Zr116  1  0.200007  0.599328  0.429116  1
  Zr  Zr117  1  0.199697  0.599328  0.929213  1
  Zr  Zr118  1  0.200160  0.800616  0.426417  1
  Zr  Zr119  1  0.199564  0.800208  0.927178  1
  Zr  Zr120  1  0.398040  0.998495  0.426417  1
  Zr  Zr121  1  0.398448  0.999091  0.927178  1
  Zr  Zr122  1  0.398040  0.200160  0.426417  1
  Zr  Zr123  1  0.398448  0.199564  0.927178  1
  Zr  Zr124  1  0.398321  0.398321  0.424856  1
  Zr  Zr125  1  0.398478  0.398478  0.926015  1
  Zr  Zr126  1  0.398585  0.599328  0.427546  1
  Zr  Zr127  1  0.398394  0.599328  0.928267  1
  Zr  Zr128  1  0.398321  0.800334  0.424856  1
  Zr  Zr129  1  0.398478  0.800177  0.926015  1
  Zr  Zr130  1  0.599328  0.998648  0.429116  1
  Zr  Zr131  1  0.599328  0.998958  0.929213  1
  Zr  Zr132  1  0.599328  0.200007  0.429116  1
  Zr  Zr133  1  0.599328  0.199697  0.929213  1
  Zr  Zr134  1  0.599328  0.398585  0.427546  1
  Zr  Zr135  1  0.599328  0.398394  0.928267  1
  Zr  Zr136  1  0.599328  0.599328  0.429825  1
  Zr  Zr137  1  0.599328  0.599328  0.930092  1
  Zr  Zr138  1  0.599328  0.800071  0.427546  1
  Zr  Zr139  1  0.599328  0.800261  0.928267  1
  Zr  Zr140  1  0.800616  0.998495  0.426417  1
  Zr  Zr141  1  0.800208  0.999091  0.927178  1
  Zr  Zr142  1  0.800616  0.200160  0.426417  1
  Zr  Zr143  1  0.800208  0.199564  0.927178  1
  Zr  Zr144  1  0.800334  0.398321  0.424856  1
  Zr  Zr145  1  0.800177  0.398478  0.926015  1
  Zr  Zr146  1  0.800071  0.599328  0.427546  1
  Zr  Zr147  1  0.800261  0.599328  0.928267  1
  Zr  Zr148  1  0.800334  0.800334  0.424856  1
  Zr  Zr149  1  0.800177  0.800177  0.926015  1
  Zr  Zr150  1  0.099328  0.099328  0.328375  1
  Zr  Zr151  1  0.099328  0.099328  0.826319  1
  Zr  Zr152  1  0.099328  0.297825  0.324151  1
  Zr  Zr153  1  0.099328  0.299199  0.824132  1
  Zr  Zr154  1  0.099328  0.500513  0.326120  1
  Zr  Zr155  1  0.099328  0.500078  0.825952  1
  Zr  Zr156  1  0.099328  0.698143  0.326120  1
  Zr  Zr157  1  0.099328  0.698577  0.825952  1
  Zr  Zr158  1  0.099328  0.900830  0.324151  1
  Zr  Zr159  1  0.099328  0.899456  0.824132  1
  Zr  Zr160  1  0.297825  0.099328  0.324151  1
  Zr  Zr161  1  0.299199  0.099328  0.824132  1
  Zr  Zr162  1  0.296224  0.296224  0.320605  1
  Zr  Zr163  1  0.299085  0.299085  0.822421  1
  Zr  Zr164  1  0.298749  0.499499  0.323585  1
  Zr  Zr165  1  0.299024  0.500031  0.824015  1
  Zr  Zr166  1  0.298749  0.699157  0.323585  1
  Zr  Zr167  1  0.299024  0.698624  0.824015  1
  Zr  Zr168  1  0.296224  0.902432  0.320605  1
  Zr  Zr169  1  0.299085  0.899570  0.822421  1
  Zr  Zr170  1  0.500513  0.099328  0.326120  1
  Zr  Zr171  1  0.500078  0.099328  0.825952  1
  Zr  Zr172  1  0.499499  0.298749  0.323585  1
  Zr  Zr173  1  0.500031  0.299024  0.824015  1
  Zr  Zr174  1  0.500327  0.500327  0.325044  1
  Zr  Zr175  1  0.500046  0.500046  0.825554  1
  Zr  Zr176  1  0.500327  0.698328  0.325044  1
  Zr  Zr177  1  0.500046  0.698609  0.825554  1
  Zr  Zr178  1  0.499499  0.899906  0.323585  1
  Zr  Zr179  1  0.500031  0.899632  0.824015  1
  Zr  Zr180  1  0.698143  0.099328  0.326120  1
  Zr  Zr181  1  0.698577  0.099328  0.825952  1
  Zr  Zr182  1  0.699157  0.298749  0.323585  1
  Zr  Zr183  1  0.698624  0.299024  0.824015  1
  Zr  Zr184  1  0.698328  0.500327  0.325044  1
  Zr  Zr185  1  0.698609  0.500046  0.825554  1
  Zr  Zr186  1  0.698328  0.698328  0.325044  1
  Zr  Zr187  1  0.698609  0.698609  0.825554  1
  Zr  Zr188  1  0.699157  0.899906  0.323585  1
  Zr  Zr189  1  0.698624  0.899632  0.824015  1
  Zr  Zr190  1  0.900830  0.099328  0.324151  1
  Zr  Zr191  1  0.899456  0.099328  0.824132  1
  Zr  Zr192  1  0.902432  0.296224  0.320605  1
  Zr  Zr193  1  0.899570  0.299085  0.822421  1
  Zr  Zr194  1  0.899906  0.499499  0.323585  1
  Zr  Zr195  1  0.899632  0.500031  0.824015  1
  Zr  Zr196  1  0.899906  0.699157  0.323585  1
  Zr  Zr197  1  0.899632  0.698624  0.824015  1
  Zr  Zr198  1  0.902432  0.902432  0.320605  1
  Zr  Zr199  1  0.899570  0.899570  0.822421  1
  Cu  Cu200  1  0.009532  0.009532  0.247066  1
  Cu  Cu201  1  0.002461  0.002461  0.750813  1
  Cu  Cu202  1  0.009532  0.189124  0.247066  1
  Cu  Cu203  1  0.002461  0.196194  0.750813  1
  Cu  Cu204  1  0.004473  0.402460  0.250588  1
  Cu  Cu205  1  0.002525  0.402016  0.750819  1
  Cu  Cu206  1  0.002174  0.599328  0.250892  1
  Cu  Cu207  1  0.002380  0.599328  0.751205  1
  Cu  Cu208  1  0.004473  0.796196  0.250588  1
  Cu  Cu209  1  0.002525  0.796639  0.750819  1
  Cu  Cu210  1  0.189124  0.009532  0.247066  1
  Cu  Cu211  1  0.196194  0.002461  0.750813  1
  Cu  Cu212  1  0.189124  0.189124  0.247066  1
  Cu  Cu213  1  0.196194  0.196194  0.750813  1
  Cu  Cu214  1  0.194182  0.402460  0.250588  1
  Cu  Cu215  1  0.196130  0.402016  0.750819  1
  Cu  Cu216  1  0.196482  0.599328  0.250892  1
  Cu  Cu217  1  0.196275  0.599328  0.751205  1
  Cu  Cu218  1  0.194182  0.796196  0.250588  1
  Cu  Cu219  1  0.196130  0.796639  0.750819  1
  Cu  Cu220  1  0.402460  0.004473  0.250588  1
  Cu  Cu221  1  0.402016  0.002525  0.750819  1
  Cu  Cu222  1  0.402460  0.194182  0.250588  1
  Cu  Cu223  1  0.402016  0.196130  0.750819  1
  Cu  Cu224  1  0.401773  0.401773  0.251338  1
  Cu  Cu225  1  0.401914  0.401914  0.751038  1
  Cu  Cu226  1  0.401202  0.599328  0.250969  1
  Cu  Cu227  1  0.401750  0.599328  0.751223  1
  Cu  Cu228  1  0.401773  0.796883  0.251338  1
  Cu  Cu229  1  0.401914  0.796741  0.751038  1
  Cu  Cu230  1  0.599328  0.002174  0.250892  1
  Cu  Cu231  1  0.599328  0.002380  0.751205  1
  Cu  Cu232  1  0.599328  0.196482  0.250892  1
  Cu  Cu233  1  0.599328  0.196275  0.751205  1
  Cu  Cu234  1  0.599328  0.401202  0.250969  1
  Cu  Cu235  1  0.599328  0.401750  0.751223  1
  Cu  Cu236  1  0.599328  0.599328  0.250514  1
  Cu  Cu237  1  0.599328  0.599328  0.751377  1
  Cu  Cu238  1  0.599328  0.797454  0.250969  1
  Cu  Cu239  1  0.599328  0.796906  0.751223  1
  Cu  Cu240  1  0.796196  0.004473  0.250588  1
  Cu  Cu241  1  0.796639  0.002525  0.750819  1
  Cu  Cu242  1  0.796196  0.194182  0.250588  1
  Cu  Cu243  1  0.796639  0.196130  0.750819  1
  Cu  Cu244  1  0.796883  0.401773  0.251338  1
  Cu  Cu245  1  0.796741  0.401914  0.751038  1
  Cu  Cu246  1  0.797454  0.599328  0.250969  1
  Cu  Cu247  1  0.796906  0.599328  0.751223  1
  Cu  Cu248  1  0.796883  0.796883  0.251338  1
  Cu  Cu249  1  0.796741  0.796741  0.751038  1
  Cu  Cu250  1  0.099328  0.099328  0.997830  1
  Cu  Cu251  1  0.099328  0.099328  0.501704  1
  Cu  Cu252  1  0.099328  0.299411  0.001415  1
  Cu  Cu253  1  0.099328  0.302397  0.501450  1
  Cu  Cu254  1  0.099328  0.495308  0.001371  1
  Cu  Cu255  1  0.099328  0.494356  0.500544  1
  Cu  Cu256  1  0.099328  0.703347  0.001371  1
  Cu  Cu257  1  0.099328  0.704299  0.500544  1
  Cu  Cu258  1  0.099328  0.899244  0.001415  1
  Cu  Cu259  1  0.099328  0.896258  0.501450  1
  Cu  Cu260  1  0.299411  0.099328  0.001415  1
  Cu  Cu261  1  0.302397  0.099328  0.501450  1
  Cu  Cu262  1  0.300422  0.300422  0.001080  1
  Cu  Cu263  1  0.301693  0.301693  0.501456  1
  Cu  Cu264  1  0.300539  0.495329  0.001184  1
  Cu  Cu265  1  0.301479  0.495063  0.500485  1
  Cu  Cu266  1  0.300539  0.703326  0.001184  1
  Cu  Cu267  1  0.301479  0.703592  0.500485  1
  Cu  Cu268  1  0.300422  0.898233  0.001080  1
  Cu  Cu269  1  0.301693  0.896962  0.501456  1
  Cu  Cu270  1  0.495308  0.099328  0.001371  1
  Cu  Cu271  1  0.494356  0.099328  0.500544  1
  Cu  Cu272  1  0.495329  0.300539  0.001184  1
  Cu  Cu273  1  0.495063  0.301479  0.500485  1
  Cu  Cu274  1  0.495776  0.495776  0.001061  1
  Cu  Cu275  1  0.495430  0.495430  0.500450  1
  Cu  Cu276  1  0.495776  0.702880  0.001061  1
  Cu  Cu277  1  0.495430  0.703225  0.500450  1
  Cu  Cu278  1  0.495329  0.898116  0.001184  1
  Cu  Cu279  1  0.495063  0.897177  0.500485  1
  Cu  Cu280  1  0.703347  0.099328  0.001371  1
  Cu  Cu281  1  0.704299  0.099328  0.500544  1
  Cu  Cu282  1  0.703326  0.300539  0.001184  1
  Cu  Cu283  1  0.703592  0.301479  0.500485  1
  Cu  Cu284  1  0.702880  0.495776  0.001061  1
  Cu  Cu285  1  0.703225  0.495430  0.500450  1
  Cu  Cu286  1  0.702880  0.702880  0.001061  1
  Cu  Cu287  1  0.703225  0.703225  0.500450  1
  Cu  Cu288  1  0.703326  0.898116  0.001184  1
  Cu  Cu289  1  0.703592  0.897177  0.500485  1
  Cu  Cu290  1  0.899244  0.099328  0.001415  1
  Cu  Cu291  1  0.896258  0.099328  0.501450  1
  Cu  Cu292  1  0.898233  0.300422  0.001080  1
  Cu  Cu293  1  0.896962  0.301693  0.501456  1
  Cu  Cu294  1  0.898116  0.495329  0.001184  1
  Cu  Cu295  1  0.897177  0.495063  0.500485  1
  Cu  Cu296  1  0.898116  0.703326  0.001184  1
  Cu  Cu297  1  0.897177  0.703592  0.500485  1
  Cu  Cu298  1  0.898233  0.898233  0.001080  1
  Cu  Cu299  1  0.896962  0.896962  0.501456  1
