# generated using pymatgen
data_Zr200Cu99
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.09606246
_cell_length_b   16.09606136
_cell_length_c   21.88730888
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr200Cu99
_chemical_formula_sum   'Zr200 Cu99'
_cell_volume   5670.63422087
_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  0.097553  0.097553  0.178567  1
  Zr  Zr2  1  0.099552  0.099552  0.676282  1
  Zr  Zr3  1  0.100395  0.299621  0.176382  1
  Zr  Zr4  1  0.099478  0.300406  0.677264  1
  Zr  Zr5  1  0.098527  0.499910  0.176377  1
  Zr  Zr6  1  0.099567  0.499910  0.675509  1
  Zr  Zr7  1  0.100395  0.700198  0.176382  1
  Zr  Zr8  1  0.099478  0.699413  0.677264  1
  Zr  Zr9  1  0.097553  0.902267  0.178567  1
  Zr  Zr10  1  0.099552  0.900267  0.676282  1
  Zr  Zr11  1  0.299621  0.100395  0.176383  1
  Zr  Zr12  1  0.300406  0.099478  0.677264  1
  Zr  Zr13  1  0.300522  0.300522  0.177940  1
  Zr  Zr14  1  0.300207  0.300207  0.677862  1
  Zr  Zr15  1  0.299864  0.499910  0.176649  1
  Zr  Zr16  1  0.300259  0.499910  0.676385  1
  Zr  Zr17  1  0.300522  0.699297  0.177940  1
  Zr  Zr18  1  0.300207  0.699612  0.677862  1
  Zr  Zr19  1  0.299621  0.899425  0.176383  1
  Zr  Zr20  1  0.300406  0.900341  0.677264  1
  Zr  Zr21  1  0.499910  0.098527  0.176377  1
  Zr  Zr22  1  0.499910  0.099567  0.675509  1
  Zr  Zr23  1  0.499910  0.299864  0.176649  1
  Zr  Zr24  1  0.499910  0.300260  0.676385  1
  Zr  Zr25  1  0.499910  0.499910  0.174993  1
  Zr  Zr26  1  0.499910  0.499910  0.675267  1
  Zr  Zr27  1  0.499910  0.699955  0.176649  1
  Zr  Zr28  1  0.499910  0.699560  0.676385  1
  Zr  Zr29  1  0.499910  0.901292  0.176377  1
  Zr  Zr30  1  0.499910  0.900252  0.675509  1
  Zr  Zr31  1  0.700198  0.100395  0.176383  1
  Zr  Zr32  1  0.699413  0.099478  0.677264  1
  Zr  Zr33  1  0.699297  0.300522  0.177940  1
  Zr  Zr34  1  0.699612  0.300207  0.677862  1
  Zr  Zr35  1  0.699955  0.499910  0.176649  1
  Zr  Zr36  1  0.699560  0.499910  0.676385  1
  Zr  Zr37  1  0.699297  0.699297  0.177940  1
  Zr  Zr38  1  0.699612  0.699612  0.677862  1
  Zr  Zr39  1  0.700198  0.899425  0.176383  1
  Zr  Zr40  1  0.699413  0.900341  0.677264  1
  Zr  Zr41  1  0.902267  0.097553  0.178567  1
  Zr  Zr42  1  0.900267  0.099552  0.676282  1
  Zr  Zr43  1  0.899425  0.299621  0.176382  1
  Zr  Zr44  1  0.900341  0.300406  0.677264  1
  Zr  Zr45  1  0.901292  0.499910  0.176377  1
  Zr  Zr46  1  0.900252  0.499910  0.675509  1
  Zr  Zr47  1  0.899425  0.700198  0.176382  1
  Zr  Zr48  1  0.900341  0.699413  0.677264  1
  Zr  Zr49  1  0.902267  0.902267  0.178567  1
  Zr  Zr50  1  0.900267  0.900267  0.676282  1
  Zr  Zr51  1  0.999910  0.999910  0.070159  1
  Zr  Zr52  1  0.999910  0.999910  0.572516  1
  Zr  Zr53  1  0.999910  0.198761  0.073906  1
  Zr  Zr54  1  0.999910  0.200278  0.573552  1
  Zr  Zr55  1  0.999910  0.399151  0.072699  1
  Zr  Zr56  1  0.999910  0.399118  0.572419  1
  Zr  Zr57  1  0.999910  0.600668  0.072699  1
  Zr  Zr58  1  0.999910  0.600701  0.572419  1
  Zr  Zr59  1  0.999910  0.801058  0.073906  1
  Zr  Zr60  1  0.999910  0.799541  0.573552  1
  Zr  Zr61  1  0.198761  0.999910  0.073907  1
  Zr  Zr62  1  0.200278  0.999910  0.573552  1
  Zr  Zr63  1  0.200001  0.200001  0.074797  1
  Zr  Zr64  1  0.200518  0.200518  0.574824  1
  Zr  Zr65  1  0.199956  0.399573  0.073793  1
  Zr  Zr66  1  0.199896  0.399328  0.573535  1
  Zr  Zr67  1  0.199956  0.600247  0.073793  1
  Zr  Zr68  1  0.199896  0.600492  0.573535  1
  Zr  Zr69  1  0.200001  0.799818  0.074797  1
  Zr  Zr70  1  0.200518  0.799301  0.574824  1
  Zr  Zr71  1  0.399151  0.999910  0.072699  1
  Zr  Zr72  1  0.399118  0.999910  0.572419  1
  Zr  Zr73  1  0.399573  0.199956  0.073793  1
  Zr  Zr74  1  0.399327  0.199896  0.573535  1
  Zr  Zr75  1  0.399494  0.399494  0.073064  1
  Zr  Zr76  1  0.399472  0.399472  0.572934  1
  Zr  Zr77  1  0.399494  0.600325  0.073064  1
  Zr  Zr78  1  0.399472  0.600348  0.572934  1
  Zr  Zr79  1  0.399573  0.799863  0.073793  1
  Zr  Zr80  1  0.399327  0.799923  0.573535  1
  Zr  Zr81  1  0.600668  0.999910  0.072699  1
  Zr  Zr82  1  0.600701  0.999910  0.572419  1
  Zr  Zr83  1  0.600247  0.199956  0.073793  1
  Zr  Zr84  1  0.600492  0.199896  0.573535  1
  Zr  Zr85  1  0.600325  0.399494  0.073064  1
  Zr  Zr86  1  0.600348  0.399472  0.572934  1
  Zr  Zr87  1  0.600325  0.600325  0.073064  1
  Zr  Zr88  1  0.600348  0.600348  0.572934  1
  Zr  Zr89  1  0.600247  0.799863  0.073793  1
  Zr  Zr90  1  0.600492  0.799923  0.573535  1
  Zr  Zr91  1  0.801058  0.999910  0.073907  1
  Zr  Zr92  1  0.799541  0.999910  0.573552  1
  Zr  Zr93  1  0.799818  0.200001  0.074797  1
  Zr  Zr94  1  0.799301  0.200518  0.574824  1
  Zr  Zr95  1  0.799863  0.399573  0.073793  1
  Zr  Zr96  1  0.799923  0.399328  0.573535  1
  Zr  Zr97  1  0.799863  0.600247  0.073793  1
  Zr  Zr98  1  0.799923  0.600492  0.573535  1
  Zr  Zr99  1  0.799818  0.799818  0.074797  1
  Zr  Zr100  1  0.799301  0.799301  0.574824  1
  Zr  Zr101  1  0.999910  0.999910  0.430017  1
  Zr  Zr102  1  0.999910  0.999910  0.927659  1
  Zr  Zr103  1  0.999910  0.198761  0.426269  1
  Zr  Zr104  1  0.999910  0.200278  0.926623  1
  Zr  Zr105  1  0.999910  0.399151  0.427477  1
  Zr  Zr106  1  0.999910  0.399118  0.927756  1
  Zr  Zr107  1  0.999910  0.600668  0.427477  1
  Zr  Zr108  1  0.999910  0.600701  0.927756  1
  Zr  Zr109  1  0.999910  0.801058  0.426269  1
  Zr  Zr110  1  0.999910  0.799541  0.926623  1
  Zr  Zr111  1  0.198761  0.999910  0.426269  1
  Zr  Zr112  1  0.200278  0.999910  0.926623  1
  Zr  Zr113  1  0.200001  0.200001  0.425379  1
  Zr  Zr114  1  0.200518  0.200518  0.925351  1
  Zr  Zr115  1  0.199956  0.399573  0.426383  1
  Zr  Zr116  1  0.199896  0.399328  0.926640  1
  Zr  Zr117  1  0.199956  0.600247  0.426383  1
  Zr  Zr118  1  0.199896  0.600492  0.926640  1
  Zr  Zr119  1  0.200001  0.799818  0.425379  1
  Zr  Zr120  1  0.200518  0.799301  0.925351  1
  Zr  Zr121  1  0.399151  0.999910  0.427476  1
  Zr  Zr122  1  0.399118  0.999910  0.927756  1
  Zr  Zr123  1  0.399573  0.199956  0.426383  1
  Zr  Zr124  1  0.399327  0.199896  0.926640  1
  Zr  Zr125  1  0.399494  0.399494  0.427111  1
  Zr  Zr126  1  0.399472  0.399472  0.927241  1
  Zr  Zr127  1  0.399494  0.600325  0.427111  1
  Zr  Zr128  1  0.399472  0.600348  0.927241  1
  Zr  Zr129  1  0.399573  0.799863  0.426383  1
  Zr  Zr130  1  0.399327  0.799923  0.926640  1
  Zr  Zr131  1  0.600668  0.999910  0.427476  1
  Zr  Zr132  1  0.600701  0.999910  0.927756  1
  Zr  Zr133  1  0.600247  0.199956  0.426383  1
  Zr  Zr134  1  0.600492  0.199896  0.926640  1
  Zr  Zr135  1  0.600325  0.399494  0.427111  1
  Zr  Zr136  1  0.600348  0.399472  0.927241  1
  Zr  Zr137  1  0.600325  0.600325  0.427111  1
  Zr  Zr138  1  0.600348  0.600348  0.927241  1
  Zr  Zr139  1  0.600247  0.799863  0.426383  1
  Zr  Zr140  1  0.600492  0.799923  0.926640  1
  Zr  Zr141  1  0.801058  0.999910  0.426269  1
  Zr  Zr142  1  0.799541  0.999910  0.926623  1
  Zr  Zr143  1  0.799818  0.200001  0.425379  1
  Zr  Zr144  1  0.799301  0.200518  0.925351  1
  Zr  Zr145  1  0.799863  0.399573  0.426383  1
  Zr  Zr146  1  0.799923  0.399328  0.926640  1
  Zr  Zr147  1  0.799863  0.600247  0.426383  1
  Zr  Zr148  1  0.799923  0.600492  0.926640  1
  Zr  Zr149  1  0.799818  0.799818  0.425379  1
  Zr  Zr150  1  0.799301  0.799301  0.925351  1
  Zr  Zr151  1  0.097553  0.097553  0.321609  1
  Zr  Zr152  1  0.099552  0.099552  0.823893  1
  Zr  Zr153  1  0.100395  0.299621  0.323793  1
  Zr  Zr154  1  0.099478  0.300406  0.822912  1
  Zr  Zr155  1  0.098527  0.499910  0.323798  1
  Zr  Zr156  1  0.099567  0.499910  0.824667  1
  Zr  Zr157  1  0.100395  0.700198  0.323793  1
  Zr  Zr158  1  0.099478  0.699413  0.822912  1
  Zr  Zr159  1  0.097553  0.902267  0.321609  1
  Zr  Zr160  1  0.099552  0.900267  0.823893  1
  Zr  Zr161  1  0.299621  0.100395  0.323793  1
  Zr  Zr162  1  0.300406  0.099478  0.822912  1
  Zr  Zr163  1  0.300522  0.300522  0.322235  1
  Zr  Zr164  1  0.300207  0.300207  0.822313  1
  Zr  Zr165  1  0.299864  0.499910  0.323527  1
  Zr  Zr166  1  0.300259  0.499910  0.823790  1
  Zr  Zr167  1  0.300522  0.699297  0.322235  1
  Zr  Zr168  1  0.300207  0.699612  0.822313  1
  Zr  Zr169  1  0.299621  0.899425  0.323793  1
  Zr  Zr170  1  0.300406  0.900341  0.822912  1
  Zr  Zr171  1  0.499910  0.098527  0.323798  1
  Zr  Zr172  1  0.499910  0.099567  0.824667  1
  Zr  Zr173  1  0.499910  0.299864  0.323527  1
  Zr  Zr174  1  0.499910  0.300260  0.823790  1
  Zr  Zr175  1  0.499910  0.499910  0.325182  1
  Zr  Zr176  1  0.499910  0.499910  0.824909  1
  Zr  Zr177  1  0.499910  0.699955  0.323527  1
  Zr  Zr178  1  0.499910  0.699560  0.823790  1
  Zr  Zr179  1  0.499910  0.901292  0.323798  1
  Zr  Zr180  1  0.499910  0.900252  0.824667  1
  Zr  Zr181  1  0.700198  0.100395  0.323793  1
  Zr  Zr182  1  0.699413  0.099478  0.822912  1
  Zr  Zr183  1  0.699297  0.300522  0.322235  1
  Zr  Zr184  1  0.699612  0.300207  0.822313  1
  Zr  Zr185  1  0.699955  0.499910  0.323527  1
  Zr  Zr186  1  0.699560  0.499910  0.823790  1
  Zr  Zr187  1  0.699297  0.699297  0.322235  1
  Zr  Zr188  1  0.699612  0.699612  0.822313  1
  Zr  Zr189  1  0.700198  0.899425  0.323793  1
  Zr  Zr190  1  0.699413  0.900341  0.822912  1
  Zr  Zr191  1  0.902267  0.097553  0.321609  1
  Zr  Zr192  1  0.900267  0.099552  0.823893  1
  Zr  Zr193  1  0.899425  0.299621  0.323793  1
  Zr  Zr194  1  0.900341  0.300406  0.822912  1
  Zr  Zr195  1  0.901292  0.499910  0.323798  1
  Zr  Zr196  1  0.900252  0.499910  0.824667  1
  Zr  Zr197  1  0.899425  0.700198  0.323793  1
  Zr  Zr198  1  0.900341  0.699413  0.822912  1
  Zr  Zr199  1  0.902267  0.902267  0.321609  1
  Zr  Zr200  1  0.900267  0.900267  0.823893  1
  Cu  Cu201  1  -0.000090  -0.000090  0.750088  1
  Cu  Cu202  1  -0.000090  0.204608  0.250088  1
  Cu  Cu203  1  -0.000090  0.198510  0.750088  1
  Cu  Cu204  1  -0.000090  0.397613  0.250088  1
  Cu  Cu205  1  -0.000090  0.402760  0.750088  1
  Cu  Cu206  1  -0.000090  0.602206  0.250088  1
  Cu  Cu207  1  -0.000090  0.597060  0.750088  1
  Cu  Cu208  1  -0.000090  0.795211  0.250088  1
  Cu  Cu209  1  -0.000090  0.801309  0.750088  1
  Cu  Cu210  1  0.204608  -0.000090  0.250088  1
  Cu  Cu211  1  0.198510  -0.000090  0.750088  1
  Cu  Cu212  1  0.198899  0.198899  0.250088  1
  Cu  Cu213  1  0.198622  0.198622  0.750088  1
  Cu  Cu214  1  0.198173  0.401773  0.250088  1
  Cu  Cu215  1  0.198820  0.402542  0.750088  1
  Cu  Cu216  1  0.198173  0.598046  0.250088  1
  Cu  Cu217  1  0.198820  0.597277  0.750088  1
  Cu  Cu218  1  0.198899  0.800920  0.250088  1
  Cu  Cu219  1  0.198622  0.801198  0.750088  1
  Cu  Cu220  1  0.397613  -0.000090  0.250088  1
  Cu  Cu221  1  0.402760  -0.000090  0.750088  1
  Cu  Cu222  1  0.401773  0.198173  0.250088  1
  Cu  Cu223  1  0.402542  0.198820  0.750088  1
  Cu  Cu224  1  0.402431  0.402431  0.250088  1
  Cu  Cu225  1  0.401914  0.401914  0.750088  1
  Cu  Cu226  1  0.402431  0.597388  0.250088  1
  Cu  Cu227  1  0.401914  0.597905  0.750088  1
  Cu  Cu228  1  0.401773  0.801646  0.250088  1
  Cu  Cu229  1  0.402542  0.801000  0.750088  1
  Cu  Cu230  1  0.602206  -0.000090  0.250088  1
  Cu  Cu231  1  0.597059  -0.000090  0.750088  1
  Cu  Cu232  1  0.598046  0.198173  0.250088  1
  Cu  Cu233  1  0.597277  0.198820  0.750088  1
  Cu  Cu234  1  0.597388  0.402431  0.250088  1
  Cu  Cu235  1  0.597905  0.401914  0.750088  1
  Cu  Cu236  1  0.597388  0.597388  0.250088  1
  Cu  Cu237  1  0.597905  0.597905  0.750088  1
  Cu  Cu238  1  0.598046  0.801646  0.250088  1
  Cu  Cu239  1  0.597277  0.801000  0.750088  1
  Cu  Cu240  1  0.795211  -0.000090  0.250088  1
  Cu  Cu241  1  0.801309  -0.000090  0.750088  1
  Cu  Cu242  1  0.800920  0.198899  0.250088  1
  Cu  Cu243  1  0.801198  0.198622  0.750088  1
  Cu  Cu244  1  0.801646  0.401773  0.250088  1
  Cu  Cu245  1  0.801000  0.402542  0.750088  1
  Cu  Cu246  1  0.801646  0.598046  0.250088  1
  Cu  Cu247  1  0.801000  0.597277  0.750088  1
  Cu  Cu248  1  0.800920  0.800920  0.250088  1
  Cu  Cu249  1  0.801198  0.801198  0.750088  1
  Cu  Cu250  1  0.102614  0.102614  0.999254  1
  Cu  Cu251  1  0.102614  0.102614  0.500921  1
  Cu  Cu252  1  0.101510  0.297653  0.000547  1
  Cu  Cu253  1  0.101510  0.297653  0.499628  1
  Cu  Cu254  1  0.101332  0.499910  1.000080  1
  Cu  Cu255  1  0.101332  0.499910  0.500095  1
  Cu  Cu256  1  0.101510  0.702166  0.000547  1
  Cu  Cu257  1  0.101510  0.702166  0.499628  1
  Cu  Cu258  1  0.102614  0.897205  0.999254  1
  Cu  Cu259  1  0.102614  0.897205  0.500921  1
  Cu  Cu260  1  0.297653  0.101510  0.000547  1
  Cu  Cu261  1  0.297653  0.101510  0.499628  1
  Cu  Cu262  1  0.298771  0.298771  0.000226  1
  Cu  Cu263  1  0.298771  0.298771  0.499950  1
  Cu  Cu264  1  0.298557  0.499910  0.000122  1
  Cu  Cu265  1  0.298557  0.499910  0.500053  1
  Cu  Cu266  1  0.298771  0.701048  0.000226  1
  Cu  Cu267  1  0.298771  0.701048  0.499950  1
  Cu  Cu268  1  0.297653  0.898310  0.000547  1
  Cu  Cu269  1  0.297653  0.898310  0.499628  1
  Cu  Cu270  1  0.499910  0.101332  1.000080  1
  Cu  Cu271  1  0.499910  0.101332  0.500095  1
  Cu  Cu272  1  0.499910  0.298557  0.000122  1
  Cu  Cu273  1  0.499910  0.298557  0.500053  1
  Cu  Cu274  1  0.499910  0.499910  0.000201  1
  Cu  Cu275  1  0.499910  0.499910  0.499975  1
  Cu  Cu276  1  0.499910  0.701263  0.000122  1
  Cu  Cu277  1  0.499910  0.701263  0.500053  1
  Cu  Cu278  1  0.499910  0.898487  1.000080  1
  Cu  Cu279  1  0.499910  0.898487  0.500095  1
  Cu  Cu280  1  0.702166  0.101510  0.000547  1
  Cu  Cu281  1  0.702166  0.101510  0.499628  1
  Cu  Cu282  1  0.701048  0.298771  0.000226  1
  Cu  Cu283  1  0.701048  0.298771  0.499950  1
  Cu  Cu284  1  0.701263  0.499910  0.000122  1
  Cu  Cu285  1  0.701263  0.499910  0.500053  1
  Cu  Cu286  1  0.701048  0.701048  0.000226  1
  Cu  Cu287  1  0.701048  0.701048  0.499950  1
  Cu  Cu288  1  0.702166  0.898310  0.000547  1
  Cu  Cu289  1  0.702166  0.898310  0.499628  1
  Cu  Cu290  1  0.897205  0.102614  0.999254  1
  Cu  Cu291  1  0.897205  0.102614  0.500921  1
  Cu  Cu292  1  0.898309  0.297653  0.000547  1
  Cu  Cu293  1  0.898309  0.297653  0.499628  1
  Cu  Cu294  1  0.898487  0.499910  1.000080  1
  Cu  Cu295  1  0.898487  0.499910  0.500095  1
  Cu  Cu296  1  0.898309  0.702166  0.000547  1
  Cu  Cu297  1  0.898309  0.702166  0.499628  1
  Cu  Cu298  1  0.897205  0.897205  0.999254  1
  Cu  Cu299  1  0.897205  0.897205  0.500921  1
