# generated using pymatgen
data_Zr64Cu21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.34449572
_cell_length_b   17.34449572
_cell_length_c   17.34449572
_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   5217.77121722
_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  0.124807  0.998055  0.998055  1
  Zr  Zr2  1  0.124807  0.998055  0.251560  1
  Zr  Zr3  1  0.124807  0.999775  0.499730  1
  Zr  Zr4  1  0.124807  0.999775  0.749885  1
  Zr  Zr5  1  0.124807  0.251560  0.998055  1
  Zr  Zr6  1  0.124807  0.251560  0.251560  1
  Zr  Zr7  1  0.124807  0.249840  0.499730  1
  Zr  Zr8  1  0.124807  0.249840  0.749885  1
  Zr  Zr9  1  0.124807  0.499730  0.999775  1
  Zr  Zr10  1  0.124807  0.499730  0.249840  1
  Zr  Zr11  1  0.124807  0.499954  0.499954  1
  Zr  Zr12  1  0.124807  0.499954  0.749661  1
  Zr  Zr13  1  0.124807  0.749885  0.999775  1
  Zr  Zr14  1  0.124807  0.749885  0.249840  1
  Zr  Zr15  1  0.124807  0.749661  0.499954  1
  Zr  Zr16  1  0.124807  0.749661  0.749661  1
  Zr  Zr17  1  0.375312  0.999385  0.999385  1
  Zr  Zr18  1  0.375312  0.999385  0.250230  1
  Zr  Zr19  1  0.374980  0.999762  0.500031  1
  Zr  Zr20  1  0.374980  0.999762  0.749584  1
  Zr  Zr21  1  0.375312  0.250230  0.999385  1
  Zr  Zr22  1  0.375312  0.250230  0.250230  1
  Zr  Zr23  1  0.374980  0.249852  0.500031  1
  Zr  Zr24  1  0.374980  0.249852  0.749584  1
  Zr  Zr25  1  0.374980  0.500031  0.999762  1
  Zr  Zr26  1  0.374980  0.500031  0.249852  1
  Zr  Zr27  1  0.374882  0.499859  0.499859  1
  Zr  Zr28  1  0.374882  0.499859  0.749756  1
  Zr  Zr29  1  0.374980  0.749584  0.999762  1
  Zr  Zr30  1  0.374980  0.749584  0.249852  1
  Zr  Zr31  1  0.374882  0.749756  0.499859  1
  Zr  Zr32  1  0.374882  0.749756  0.749756  1
  Zr  Zr33  1  0.624807  -0.000137  -0.000137  1
  Zr  Zr34  1  0.624807  -0.000137  0.249752  1
  Zr  Zr35  1  0.624807  0.999741  0.499924  1
  Zr  Zr36  1  0.624807  0.999741  0.749691  1
  Zr  Zr37  1  0.624807  0.249752  -0.000137  1
  Zr  Zr38  1  0.624807  0.249752  0.249752  1
  Zr  Zr39  1  0.624807  0.249874  0.499924  1
  Zr  Zr40  1  0.624807  0.249874  0.749691  1
  Zr  Zr41  1  0.624807  0.499924  0.999741  1
  Zr  Zr42  1  0.624807  0.499924  0.249874  1
  Zr  Zr43  1  0.624807  0.499842  0.499842  1
  Zr  Zr44  1  0.624807  0.499842  0.749773  1
  Zr  Zr45  1  0.624807  0.749691  0.999741  1
  Zr  Zr46  1  0.624807  0.749691  0.249874  1
  Zr  Zr47  1  0.624807  0.749773  0.499842  1
  Zr  Zr48  1  0.624807  0.749773  0.749773  1
  Zr  Zr49  1  0.874303  0.999385  0.999385  1
  Zr  Zr50  1  0.874303  0.999385  0.250230  1
  Zr  Zr51  1  0.874634  0.999762  0.500031  1
  Zr  Zr52  1  0.874634  0.999762  0.749584  1
  Zr  Zr53  1  0.874303  0.250230  0.999385  1
  Zr  Zr54  1  0.874303  0.250230  0.250230  1
  Zr  Zr55  1  0.874634  0.249852  0.500031  1
  Zr  Zr56  1  0.874634  0.249852  0.749584  1
  Zr  Zr57  1  0.874634  0.500031  0.999762  1
  Zr  Zr58  1  0.874634  0.500031  0.249852  1
  Zr  Zr59  1  0.874733  0.499859  0.499859  1
  Zr  Zr60  1  0.874733  0.499859  0.749756  1
  Zr  Zr61  1  0.874634  0.749584  0.999762  1
  Zr  Zr62  1  0.874634  0.749584  0.249852  1
  Zr  Zr63  1  0.874733  0.749756  0.499859  1
  Zr  Zr64  1  0.874733  0.749756  0.749756  1
  Zr  Zr65  1  0.998055  0.124807  0.998055  1
  Zr  Zr66  1  0.998055  0.124807  0.251560  1
  Zr  Zr67  1  0.999775  0.124807  0.499730  1
  Zr  Zr68  1  0.999775  0.124807  0.749885  1
  Zr  Zr69  1  0.999385  0.375312  0.999385  1
  Zr  Zr70  1  0.999385  0.375312  0.250230  1
  Zr  Zr71  1  0.999762  0.374980  0.500031  1
  Zr  Zr72  1  0.999762  0.374980  0.749584  1
  Zr  Zr73  1  -0.000137  0.624807  -0.000137  1
  Zr  Zr74  1  -0.000137  0.624807  0.249752  1
  Zr  Zr75  1  0.999741  0.624807  0.499924  1
  Zr  Zr76  1  0.999741  0.624807  0.749691  1
  Zr  Zr77  1  0.999385  0.874303  0.999385  1
  Zr  Zr78  1  0.999385  0.874303  0.250230  1
  Zr  Zr79  1  0.999762  0.874634  0.500031  1
  Zr  Zr80  1  0.999762  0.874634  0.749584  1
  Zr  Zr81  1  0.251560  0.124807  0.998055  1
  Zr  Zr82  1  0.251560  0.124807  0.251560  1
  Zr  Zr83  1  0.249840  0.124807  0.499730  1
  Zr  Zr84  1  0.249840  0.124807  0.749885  1
  Zr  Zr85  1  0.250230  0.375312  0.999385  1
  Zr  Zr86  1  0.250230  0.375312  0.250230  1
  Zr  Zr87  1  0.249852  0.374980  0.500031  1
  Zr  Zr88  1  0.249852  0.374980  0.749584  1
  Zr  Zr89  1  0.249752  0.624807  -0.000137  1
  Zr  Zr90  1  0.249752  0.624807  0.249752  1
  Zr  Zr91  1  0.249874  0.624807  0.499924  1
  Zr  Zr92  1  0.249874  0.624807  0.749691  1
  Zr  Zr93  1  0.250230  0.874303  0.999385  1
  Zr  Zr94  1  0.250230  0.874303  0.250230  1
  Zr  Zr95  1  0.249852  0.874634  0.500031  1
  Zr  Zr96  1  0.249852  0.874634  0.749584  1
  Zr  Zr97  1  0.499730  0.124807  0.999775  1
  Zr  Zr98  1  0.499730  0.124807  0.249840  1
  Zr  Zr99  1  0.499954  0.124807  0.499954  1
  Zr  Zr100  1  0.499954  0.124807  0.749661  1
  Zr  Zr101  1  0.500031  0.374980  0.999762  1
  Zr  Zr102  1  0.500031  0.374980  0.249852  1
  Zr  Zr103  1  0.499859  0.374882  0.499859  1
  Zr  Zr104  1  0.499859  0.374882  0.749756  1
  Zr  Zr105  1  0.499924  0.624807  0.999741  1
  Zr  Zr106  1  0.499924  0.624807  0.249874  1
  Zr  Zr107  1  0.499842  0.624807  0.499842  1
  Zr  Zr108  1  0.499842  0.624807  0.749773  1
  Zr  Zr109  1  0.500031  0.874634  0.999762  1
  Zr  Zr110  1  0.500031  0.874634  0.249852  1
  Zr  Zr111  1  0.499859  0.874733  0.499859  1
  Zr  Zr112  1  0.499859  0.874733  0.749756  1
  Zr  Zr113  1  0.749885  0.124807  0.999775  1
  Zr  Zr114  1  0.749885  0.124807  0.249840  1
  Zr  Zr115  1  0.749661  0.124807  0.499954  1
  Zr  Zr116  1  0.749661  0.124807  0.749661  1
  Zr  Zr117  1  0.749584  0.374980  0.999762  1
  Zr  Zr118  1  0.749584  0.374980  0.249852  1
  Zr  Zr119  1  0.749756  0.374882  0.499859  1
  Zr  Zr120  1  0.749756  0.374882  0.749756  1
  Zr  Zr121  1  0.749691  0.624807  0.999741  1
  Zr  Zr122  1  0.749691  0.624807  0.249874  1
  Zr  Zr123  1  0.749773  0.624807  0.499842  1
  Zr  Zr124  1  0.749773  0.624807  0.749773  1
  Zr  Zr125  1  0.749584  0.874634  0.999762  1
  Zr  Zr126  1  0.749584  0.874634  0.249852  1
  Zr  Zr127  1  0.749756  0.874733  0.499859  1
  Zr  Zr128  1  0.749756  0.874733  0.749756  1
  Zr  Zr129  1  0.998055  0.998055  0.124807  1
  Zr  Zr130  1  0.999385  0.999385  0.375312  1
  Zr  Zr131  1  -0.000137  -0.000137  0.624807  1
  Zr  Zr132  1  0.999385  0.999385  0.874303  1
  Zr  Zr133  1  0.998055  0.251560  0.124807  1
  Zr  Zr134  1  0.999385  0.250230  0.375312  1
  Zr  Zr135  1  -0.000137  0.249752  0.624807  1
  Zr  Zr136  1  0.999385  0.250230  0.874303  1
  Zr  Zr137  1  0.999775  0.499730  0.124807  1
  Zr  Zr138  1  0.999762  0.500031  0.374980  1
  Zr  Zr139  1  0.999741  0.499924  0.624807  1
  Zr  Zr140  1  0.999762  0.500031  0.874634  1
  Zr  Zr141  1  0.999775  0.749885  0.124807  1
  Zr  Zr142  1  0.999762  0.749584  0.374980  1
  Zr  Zr143  1  0.999741  0.749691  0.624807  1
  Zr  Zr144  1  0.999762  0.749584  0.874634  1
  Zr  Zr145  1  0.251560  0.998055  0.124807  1
  Zr  Zr146  1  0.250230  0.999385  0.375312  1
  Zr  Zr147  1  0.249752  -0.000137  0.624807  1
  Zr  Zr148  1  0.250230  0.999385  0.874303  1
  Zr  Zr149  1  0.251560  0.251560  0.124807  1
  Zr  Zr150  1  0.250230  0.250230  0.375312  1
  Zr  Zr151  1  0.249752  0.249752  0.624807  1
  Zr  Zr152  1  0.250230  0.250230  0.874303  1
  Zr  Zr153  1  0.249840  0.499730  0.124807  1
  Zr  Zr154  1  0.249852  0.500031  0.374980  1
  Zr  Zr155  1  0.249874  0.499924  0.624807  1
  Zr  Zr156  1  0.249852  0.500031  0.874634  1
  Zr  Zr157  1  0.249840  0.749885  0.124807  1
  Zr  Zr158  1  0.249852  0.749584  0.374980  1
  Zr  Zr159  1  0.249874  0.749691  0.624807  1
  Zr  Zr160  1  0.249852  0.749584  0.874634  1
  Zr  Zr161  1  0.499730  0.999775  0.124807  1
  Zr  Zr162  1  0.500031  0.999762  0.374980  1
  Zr  Zr163  1  0.499924  0.999741  0.624807  1
  Zr  Zr164  1  0.500031  0.999762  0.874634  1
  Zr  Zr165  1  0.499730  0.249840  0.124807  1
  Zr  Zr166  1  0.500031  0.249852  0.374980  1
  Zr  Zr167  1  0.499924  0.249874  0.624807  1
  Zr  Zr168  1  0.500031  0.249852  0.874634  1
  Zr  Zr169  1  0.499954  0.499954  0.124807  1
  Zr  Zr170  1  0.499859  0.499859  0.374882  1
  Zr  Zr171  1  0.499842  0.499842  0.624807  1
  Zr  Zr172  1  0.499859  0.499859  0.874733  1
  Zr  Zr173  1  0.499954  0.749661  0.124807  1
  Zr  Zr174  1  0.499859  0.749756  0.374882  1
  Zr  Zr175  1  0.499842  0.749773  0.624807  1
  Zr  Zr176  1  0.499859  0.749756  0.874733  1
  Zr  Zr177  1  0.749885  0.999775  0.124807  1
  Zr  Zr178  1  0.749584  0.999762  0.374980  1
  Zr  Zr179  1  0.749691  0.999741  0.624807  1
  Zr  Zr180  1  0.749584  0.999762  0.874634  1
  Zr  Zr181  1  0.749885  0.249840  0.124807  1
  Zr  Zr182  1  0.749584  0.249852  0.374980  1
  Zr  Zr183  1  0.749691  0.249874  0.624807  1
  Zr  Zr184  1  0.749584  0.249852  0.874634  1
  Zr  Zr185  1  0.749661  0.499954  0.124807  1
  Zr  Zr186  1  0.749756  0.499859  0.374882  1
  Zr  Zr187  1  0.749773  0.499842  0.624807  1
  Zr  Zr188  1  0.749756  0.499859  0.874733  1
  Zr  Zr189  1  0.749661  0.749661  0.124807  1
  Zr  Zr190  1  0.749756  0.749756  0.374882  1
  Zr  Zr191  1  0.749773  0.749773  0.624807  1
  Zr  Zr192  1  0.749756  0.749756  0.874733  1
  Cu  Cu193  1  0.124807  0.124807  0.374894  1
  Cu  Cu194  1  0.124807  0.124807  0.624807  1
  Cu  Cu195  1  0.124807  0.124807  0.874721  1
  Cu  Cu196  1  0.124807  0.374894  0.124807  1
  Cu  Cu197  1  0.124807  0.375257  0.375257  1
  Cu  Cu198  1  0.124807  0.374860  0.624807  1
  Cu  Cu199  1  0.124807  0.375257  0.874358  1
  Cu  Cu200  1  0.124807  0.624807  0.124807  1
  Cu  Cu201  1  0.124807  0.624807  0.374860  1
  Cu  Cu202  1  0.124807  0.624807  0.624807  1
  Cu  Cu203  1  0.124807  0.624807  0.874754  1
  Cu  Cu204  1  0.124807  0.874721  0.124807  1
  Cu  Cu205  1  0.124807  0.874358  0.375257  1
  Cu  Cu206  1  0.124807  0.874754  0.624807  1
  Cu  Cu207  1  0.124807  0.874358  0.874358  1
  Cu  Cu208  1  0.374894  0.124807  0.124807  1
  Cu  Cu209  1  0.375257  0.124807  0.375257  1
  Cu  Cu210  1  0.374860  0.124807  0.624807  1
  Cu  Cu211  1  0.375257  0.124807  0.874358  1
  Cu  Cu212  1  0.375257  0.375257  0.124807  1
  Cu  Cu213  1  0.374946  0.374946  0.374946  1
  Cu  Cu214  1  0.374860  0.374860  0.624807  1
  Cu  Cu215  1  0.374946  0.374946  0.874669  1
  Cu  Cu216  1  0.374860  0.624807  0.124807  1
  Cu  Cu217  1  0.374860  0.624807  0.374860  1
  Cu  Cu218  1  0.374856  0.624807  0.624807  1
  Cu  Cu219  1  0.374860  0.624807  0.874755  1
  Cu  Cu220  1  0.375257  0.874358  0.124807  1
  Cu  Cu221  1  0.374946  0.874669  0.374946  1
  Cu  Cu222  1  0.374860  0.874755  0.624807  1
  Cu  Cu223  1  0.374946  0.874669  0.874669  1
  Cu  Cu224  1  0.624807  0.124807  0.124807  1
  Cu  Cu225  1  0.624807  0.124807  0.374860  1
  Cu  Cu226  1  0.624807  0.124807  0.624807  1
  Cu  Cu227  1  0.624807  0.124807  0.874754  1
  Cu  Cu228  1  0.624807  0.374860  0.124807  1
  Cu  Cu229  1  0.624807  0.374860  0.374860  1
  Cu  Cu230  1  0.624807  0.374856  0.624807  1
  Cu  Cu231  1  0.624807  0.374860  0.874755  1
  Cu  Cu232  1  0.624807  0.624807  0.124807  1
  Cu  Cu233  1  0.624807  0.624807  0.374856  1
  Cu  Cu234  1  0.624807  0.624807  0.624807  1
  Cu  Cu235  1  0.624807  0.624807  0.874759  1
  Cu  Cu236  1  0.624807  0.874754  0.124807  1
  Cu  Cu237  1  0.624807  0.874755  0.374860  1
  Cu  Cu238  1  0.624807  0.874759  0.624807  1
  Cu  Cu239  1  0.624807  0.874755  0.874755  1
  Cu  Cu240  1  0.874721  0.124807  0.124807  1
  Cu  Cu241  1  0.874358  0.124807  0.375257  1
  Cu  Cu242  1  0.874754  0.124807  0.624807  1
  Cu  Cu243  1  0.874358  0.124807  0.874358  1
  Cu  Cu244  1  0.874358  0.375257  0.124807  1
  Cu  Cu245  1  0.874669  0.374946  0.374946  1
  Cu  Cu246  1  0.874755  0.374860  0.624807  1
  Cu  Cu247  1  0.874669  0.374946  0.874669  1
  Cu  Cu248  1  0.874754  0.624807  0.124807  1
  Cu  Cu249  1  0.874755  0.624807  0.374860  1
  Cu  Cu250  1  0.874759  0.624807  0.624807  1
  Cu  Cu251  1  0.874755  0.624807  0.874755  1
  Cu  Cu252  1  0.874358  0.874358  0.124807  1
  Cu  Cu253  1  0.874669  0.874669  0.374946  1
  Cu  Cu254  1  0.874755  0.874755  0.624807  1
  Cu  Cu255  1  0.874669  0.874669  0.874669  1
