# generated using pymatgen
data_Zr64Cu21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.30206852
_cell_length_b   17.30206852
_cell_length_c   17.30206852
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr64Cu21
_chemical_formula_sum   'Zr192 Cu63'
_cell_volume   5179.57448491
_cell_formula_units_Z   3
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  0.998611  0.998611  0.124873  1
  Zr  Zr2  1  0.999733  0.999733  0.375150  1
  Zr  Zr3  1  0.999821  0.999821  0.624873  1
  Zr  Zr4  1  0.999733  0.999733  0.874596  1
  Zr  Zr5  1  0.998611  0.251135  0.124873  1
  Zr  Zr6  1  0.999733  0.250013  0.375150  1
  Zr  Zr7  1  0.999821  0.249925  0.624873  1
  Zr  Zr8  1  0.999733  0.250013  0.874596  1
  Zr  Zr9  1  0.999848  0.500017  0.124873  1
  Zr  Zr10  1  0.999844  0.499953  0.374962  1
  Zr  Zr11  1  0.999835  0.499916  0.624873  1
  Zr  Zr12  1  0.999844  0.499953  0.874783  1
  Zr  Zr13  1  0.999848  0.749728  0.124873  1
  Zr  Zr14  1  0.999844  0.749792  0.374962  1
  Zr  Zr15  1  0.999835  0.749829  0.624873  1
  Zr  Zr16  1  0.999844  0.749792  0.874783  1
  Zr  Zr17  1  0.251135  0.998611  0.124873  1
  Zr  Zr18  1  0.250013  0.999733  0.375150  1
  Zr  Zr19  1  0.249925  0.999821  0.624873  1
  Zr  Zr20  1  0.250013  0.999733  0.874596  1
  Zr  Zr21  1  0.251135  0.251135  0.124873  1
  Zr  Zr22  1  0.250013  0.250013  0.375150  1
  Zr  Zr23  1  0.249925  0.249925  0.624873  1
  Zr  Zr24  1  0.250013  0.250013  0.874596  1
  Zr  Zr25  1  0.249897  0.500017  0.124873  1
  Zr  Zr26  1  0.249902  0.499953  0.374962  1
  Zr  Zr27  1  0.249911  0.499916  0.624873  1
  Zr  Zr28  1  0.249902  0.499953  0.874783  1
  Zr  Zr29  1  0.249897  0.749728  0.124873  1
  Zr  Zr30  1  0.249902  0.749792  0.374962  1
  Zr  Zr31  1  0.249911  0.749829  0.624873  1
  Zr  Zr32  1  0.249902  0.749792  0.874783  1
  Zr  Zr33  1  0.500017  0.999848  0.124873  1
  Zr  Zr34  1  0.499953  0.999844  0.374962  1
  Zr  Zr35  1  0.499916  0.999835  0.624873  1
  Zr  Zr36  1  0.499953  0.999844  0.874783  1
  Zr  Zr37  1  0.500017  0.249897  0.124873  1
  Zr  Zr38  1  0.499953  0.249902  0.374962  1
  Zr  Zr39  1  0.499916  0.249911  0.624873  1
  Zr  Zr40  1  0.499953  0.249902  0.874783  1
  Zr  Zr41  1  0.499959  0.499959  0.124873  1
  Zr  Zr42  1  0.499893  0.499893  0.374912  1
  Zr  Zr43  1  0.499890  0.499890  0.624873  1
  Zr  Zr44  1  0.499893  0.499893  0.874833  1
  Zr  Zr45  1  0.499959  0.749786  0.124873  1
  Zr  Zr46  1  0.499893  0.749852  0.374912  1
  Zr  Zr47  1  0.499890  0.749855  0.624873  1
  Zr  Zr48  1  0.499893  0.749852  0.874833  1
  Zr  Zr49  1  0.749728  0.999848  0.124873  1
  Zr  Zr50  1  0.749792  0.999844  0.374962  1
  Zr  Zr51  1  0.749829  0.999835  0.624873  1
  Zr  Zr52  1  0.749792  0.999844  0.874783  1
  Zr  Zr53  1  0.749728  0.249897  0.124873  1
  Zr  Zr54  1  0.749792  0.249902  0.374962  1
  Zr  Zr55  1  0.749829  0.249911  0.624873  1
  Zr  Zr56  1  0.749792  0.249902  0.874783  1
  Zr  Zr57  1  0.749786  0.499959  0.124873  1
  Zr  Zr58  1  0.749852  0.499893  0.374912  1
  Zr  Zr59  1  0.749855  0.499890  0.624873  1
  Zr  Zr60  1  0.749852  0.499893  0.874833  1
  Zr  Zr61  1  0.749786  0.749786  0.124873  1
  Zr  Zr62  1  0.749852  0.749852  0.374912  1
  Zr  Zr63  1  0.749855  0.749855  0.624873  1
  Zr  Zr64  1  0.749852  0.749852  0.874833  1
  Zr  Zr65  1  0.998611  0.124873  0.998611  1
  Zr  Zr66  1  0.998611  0.124873  0.251135  1
  Zr  Zr67  1  0.999848  0.124873  0.500017  1
  Zr  Zr68  1  0.999848  0.124873  0.749728  1
  Zr  Zr69  1  0.999733  0.375150  0.999733  1
  Zr  Zr70  1  0.999733  0.375150  0.250013  1
  Zr  Zr71  1  0.999844  0.374962  0.499953  1
  Zr  Zr72  1  0.999844  0.374962  0.749792  1
  Zr  Zr73  1  0.999821  0.624873  0.999821  1
  Zr  Zr74  1  0.999821  0.624873  0.249925  1
  Zr  Zr75  1  0.999835  0.624873  0.499916  1
  Zr  Zr76  1  0.999835  0.624873  0.749829  1
  Zr  Zr77  1  0.999733  0.874596  0.999733  1
  Zr  Zr78  1  0.999733  0.874596  0.250013  1
  Zr  Zr79  1  0.999844  0.874783  0.499953  1
  Zr  Zr80  1  0.999844  0.874783  0.749792  1
  Zr  Zr81  1  0.251135  0.124873  0.998611  1
  Zr  Zr82  1  0.251135  0.124873  0.251135  1
  Zr  Zr83  1  0.249897  0.124873  0.500017  1
  Zr  Zr84  1  0.249897  0.124873  0.749728  1
  Zr  Zr85  1  0.250013  0.375150  0.999733  1
  Zr  Zr86  1  0.250013  0.375150  0.250013  1
  Zr  Zr87  1  0.249902  0.374962  0.499953  1
  Zr  Zr88  1  0.249902  0.374962  0.749792  1
  Zr  Zr89  1  0.249925  0.624873  0.999821  1
  Zr  Zr90  1  0.249925  0.624873  0.249925  1
  Zr  Zr91  1  0.249911  0.624873  0.499916  1
  Zr  Zr92  1  0.249911  0.624873  0.749829  1
  Zr  Zr93  1  0.250013  0.874596  0.999733  1
  Zr  Zr94  1  0.250013  0.874596  0.250013  1
  Zr  Zr95  1  0.249902  0.874783  0.499953  1
  Zr  Zr96  1  0.249902  0.874783  0.749792  1
  Zr  Zr97  1  0.500017  0.124873  0.999848  1
  Zr  Zr98  1  0.500017  0.124873  0.249897  1
  Zr  Zr99  1  0.499959  0.124873  0.499959  1
  Zr  Zr100  1  0.499959  0.124873  0.749786  1
  Zr  Zr101  1  0.499953  0.374962  0.999844  1
  Zr  Zr102  1  0.499953  0.374962  0.249902  1
  Zr  Zr103  1  0.499893  0.374912  0.499893  1
  Zr  Zr104  1  0.499893  0.374912  0.749852  1
  Zr  Zr105  1  0.499916  0.624873  0.999835  1
  Zr  Zr106  1  0.499916  0.624873  0.249911  1
  Zr  Zr107  1  0.499890  0.624873  0.499890  1
  Zr  Zr108  1  0.499890  0.624873  0.749855  1
  Zr  Zr109  1  0.499953  0.874783  0.999844  1
  Zr  Zr110  1  0.499953  0.874783  0.249902  1
  Zr  Zr111  1  0.499893  0.874833  0.499893  1
  Zr  Zr112  1  0.499893  0.874833  0.749852  1
  Zr  Zr113  1  0.749728  0.124873  0.999848  1
  Zr  Zr114  1  0.749728  0.124873  0.249897  1
  Zr  Zr115  1  0.749786  0.124873  0.499959  1
  Zr  Zr116  1  0.749786  0.124873  0.749786  1
  Zr  Zr117  1  0.749792  0.374962  0.999844  1
  Zr  Zr118  1  0.749792  0.374962  0.249902  1
  Zr  Zr119  1  0.749852  0.374912  0.499893  1
  Zr  Zr120  1  0.749852  0.374912  0.749852  1
  Zr  Zr121  1  0.749829  0.624873  0.999835  1
  Zr  Zr122  1  0.749829  0.624873  0.249911  1
  Zr  Zr123  1  0.749855  0.624873  0.499890  1
  Zr  Zr124  1  0.749855  0.624873  0.749855  1
  Zr  Zr125  1  0.749792  0.874783  0.999844  1
  Zr  Zr126  1  0.749792  0.874783  0.249902  1
  Zr  Zr127  1  0.749852  0.874833  0.499893  1
  Zr  Zr128  1  0.749852  0.874833  0.749852  1
  Zr  Zr129  1  0.124873  0.998611  0.998611  1
  Zr  Zr130  1  0.124873  0.998611  0.251135  1
  Zr  Zr131  1  0.124873  0.999848  0.500017  1
  Zr  Zr132  1  0.124873  0.999848  0.749728  1
  Zr  Zr133  1  0.124873  0.251135  0.998611  1
  Zr  Zr134  1  0.124873  0.251135  0.251135  1
  Zr  Zr135  1  0.124873  0.249897  0.500017  1
  Zr  Zr136  1  0.124873  0.249897  0.749728  1
  Zr  Zr137  1  0.124873  0.500017  0.999848  1
  Zr  Zr138  1  0.124873  0.500017  0.249897  1
  Zr  Zr139  1  0.124873  0.499959  0.499959  1
  Zr  Zr140  1  0.124873  0.499959  0.749786  1
  Zr  Zr141  1  0.124873  0.749728  0.999848  1
  Zr  Zr142  1  0.124873  0.749728  0.249897  1
  Zr  Zr143  1  0.124873  0.749786  0.499959  1
  Zr  Zr144  1  0.124873  0.749786  0.749786  1
  Zr  Zr145  1  0.375150  0.999733  0.999733  1
  Zr  Zr146  1  0.375150  0.999733  0.250013  1
  Zr  Zr147  1  0.374962  0.999844  0.499953  1
  Zr  Zr148  1  0.374962  0.999844  0.749792  1
  Zr  Zr149  1  0.375150  0.250013  0.999733  1
  Zr  Zr150  1  0.375150  0.250013  0.250013  1
  Zr  Zr151  1  0.374962  0.249902  0.499953  1
  Zr  Zr152  1  0.374962  0.249902  0.749792  1
  Zr  Zr153  1  0.374962  0.499953  0.999844  1
  Zr  Zr154  1  0.374962  0.499953  0.249902  1
  Zr  Zr155  1  0.374912  0.499893  0.499893  1
  Zr  Zr156  1  0.374912  0.499893  0.749852  1
  Zr  Zr157  1  0.374962  0.749792  0.999844  1
  Zr  Zr158  1  0.374962  0.749792  0.249902  1
  Zr  Zr159  1  0.374912  0.749852  0.499893  1
  Zr  Zr160  1  0.374912  0.749852  0.749852  1
  Zr  Zr161  1  0.624873  0.999821  0.999821  1
  Zr  Zr162  1  0.624873  0.999821  0.249925  1
  Zr  Zr163  1  0.624873  0.999835  0.499916  1
  Zr  Zr164  1  0.624873  0.999835  0.749829  1
  Zr  Zr165  1  0.624873  0.249925  0.999821  1
  Zr  Zr166  1  0.624873  0.249925  0.249925  1
  Zr  Zr167  1  0.624873  0.249911  0.499916  1
  Zr  Zr168  1  0.624873  0.249911  0.749829  1
  Zr  Zr169  1  0.624873  0.499916  0.999835  1
  Zr  Zr170  1  0.624873  0.499916  0.249911  1
  Zr  Zr171  1  0.624873  0.499890  0.499890  1
  Zr  Zr172  1  0.624873  0.499890  0.749855  1
  Zr  Zr173  1  0.624873  0.749829  0.999835  1
  Zr  Zr174  1  0.624873  0.749829  0.249911  1
  Zr  Zr175  1  0.624873  0.749855  0.499890  1
  Zr  Zr176  1  0.624873  0.749855  0.749855  1
  Zr  Zr177  1  0.874596  0.999733  0.999733  1
  Zr  Zr178  1  0.874596  0.999733  0.250013  1
  Zr  Zr179  1  0.874783  0.999844  0.499953  1
  Zr  Zr180  1  0.874783  0.999844  0.749792  1
  Zr  Zr181  1  0.874596  0.250013  0.999733  1
  Zr  Zr182  1  0.874596  0.250013  0.250013  1
  Zr  Zr183  1  0.874783  0.249902  0.499953  1
  Zr  Zr184  1  0.874783  0.249902  0.749792  1
  Zr  Zr185  1  0.874783  0.499953  0.999844  1
  Zr  Zr186  1  0.874783  0.499953  0.249902  1
  Zr  Zr187  1  0.874833  0.499893  0.499893  1
  Zr  Zr188  1  0.874833  0.499893  0.749852  1
  Zr  Zr189  1  0.874783  0.749792  0.999844  1
  Zr  Zr190  1  0.874783  0.749792  0.249902  1
  Zr  Zr191  1  0.874833  0.749852  0.499893  1
  Zr  Zr192  1  0.874833  0.749852  0.749852  1
  Cu  Cu193  1  0.124873  0.124873  0.374749  1
  Cu  Cu194  1  0.124873  0.124873  0.624873  1
  Cu  Cu195  1  0.124873  0.124873  0.874997  1
  Cu  Cu196  1  0.124873  0.374749  0.124873  1
  Cu  Cu197  1  0.124873  0.375125  0.375125  1
  Cu  Cu198  1  0.124873  0.374939  0.624873  1
  Cu  Cu199  1  0.124873  0.375125  0.874620  1
  Cu  Cu200  1  0.124873  0.624873  0.124873  1
  Cu  Cu201  1  0.124873  0.624873  0.374939  1
  Cu  Cu202  1  0.124873  0.624873  0.624873  1
  Cu  Cu203  1  0.124873  0.624873  0.874806  1
  Cu  Cu204  1  0.124873  0.874997  0.124873  1
  Cu  Cu205  1  0.124873  0.874620  0.375125  1
  Cu  Cu206  1  0.124873  0.874806  0.624873  1
  Cu  Cu207  1  0.124873  0.874620  0.874620  1
  Cu  Cu208  1  0.374749  0.124873  0.124873  1
  Cu  Cu209  1  0.375125  0.124873  0.375125  1
  Cu  Cu210  1  0.374939  0.124873  0.624873  1
  Cu  Cu211  1  0.375125  0.124873  0.874620  1
  Cu  Cu212  1  0.375125  0.375125  0.124873  1
  Cu  Cu213  1  0.374903  0.374903  0.374903  1
  Cu  Cu214  1  0.374901  0.374901  0.624873  1
  Cu  Cu215  1  0.374903  0.374903  0.874842  1
  Cu  Cu216  1  0.374939  0.624873  0.124873  1
  Cu  Cu217  1  0.374901  0.624873  0.374901  1
  Cu  Cu218  1  0.374894  0.624873  0.624873  1
  Cu  Cu219  1  0.374901  0.624873  0.874844  1
  Cu  Cu220  1  0.375125  0.874620  0.124873  1
  Cu  Cu221  1  0.374903  0.874842  0.374903  1
  Cu  Cu222  1  0.374901  0.874844  0.624873  1
  Cu  Cu223  1  0.374903  0.874842  0.874842  1
  Cu  Cu224  1  0.624873  0.124873  0.124873  1
  Cu  Cu225  1  0.624873  0.124873  0.374939  1
  Cu  Cu226  1  0.624873  0.124873  0.624873  1
  Cu  Cu227  1  0.624873  0.124873  0.874806  1
  Cu  Cu228  1  0.624873  0.374939  0.124873  1
  Cu  Cu229  1  0.624873  0.374901  0.374901  1
  Cu  Cu230  1  0.624873  0.374894  0.624873  1
  Cu  Cu231  1  0.624873  0.374901  0.874844  1
  Cu  Cu232  1  0.624873  0.624873  0.124873  1
  Cu  Cu233  1  0.624873  0.624873  0.374894  1
  Cu  Cu234  1  0.624873  0.624873  0.624873  1
  Cu  Cu235  1  0.624873  0.624873  0.874851  1
  Cu  Cu236  1  0.624873  0.874806  0.124873  1
  Cu  Cu237  1  0.624873  0.874844  0.374901  1
  Cu  Cu238  1  0.624873  0.874851  0.624873  1
  Cu  Cu239  1  0.624873  0.874844  0.874844  1
  Cu  Cu240  1  0.874997  0.124873  0.124873  1
  Cu  Cu241  1  0.874620  0.124873  0.375125  1
  Cu  Cu242  1  0.874806  0.124873  0.624873  1
  Cu  Cu243  1  0.874620  0.124873  0.874620  1
  Cu  Cu244  1  0.874620  0.375125  0.124873  1
  Cu  Cu245  1  0.874842  0.374903  0.374903  1
  Cu  Cu246  1  0.874844  0.374901  0.624873  1
  Cu  Cu247  1  0.874842  0.374903  0.874842  1
  Cu  Cu248  1  0.874806  0.624873  0.124873  1
  Cu  Cu249  1  0.874844  0.624873  0.374901  1
  Cu  Cu250  1  0.874851  0.624873  0.624873  1
  Cu  Cu251  1  0.874844  0.624873  0.874844  1
  Cu  Cu252  1  0.874620  0.874620  0.124873  1
  Cu  Cu253  1  0.874842  0.874842  0.374903  1
  Cu  Cu254  1  0.874844  0.874844  0.624873  1
  Cu  Cu255  1  0.874842  0.874842  0.874842  1
