# generated using pymatgen
data_Zr191Cu64
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.23413880
_cell_length_b   17.36848478
_cell_length_c   17.36848500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr191Cu64
_chemical_formula_sum   'Zr191 Cu64'
_cell_volume   5198.92385376
_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  0.128008  0.999117  0.265188  1
  Zr  Zr2  1  0.128008  0.999117  0.499117  1
  Zr  Zr3  1  0.128008  0.999117  0.733046  1
  Zr  Zr4  1  0.128008  0.265188  -0.000883  1
  Zr  Zr5  1  0.128008  0.251891  0.251891  1
  Zr  Zr6  1  0.128008  0.250331  0.499117  1
  Zr  Zr7  1  0.128008  0.251891  0.746343  1
  Zr  Zr8  1  0.128008  0.499117  -0.000883  1
  Zr  Zr9  1  0.128008  0.499117  0.250331  1
  Zr  Zr10  1  0.128008  0.499117  0.499117  1
  Zr  Zr11  1  0.128008  0.499117  0.747904  1
  Zr  Zr12  1  0.128008  0.733046  -0.000883  1
  Zr  Zr13  1  0.128008  0.746343  0.251891  1
  Zr  Zr14  1  0.128008  0.747904  0.499117  1
  Zr  Zr15  1  0.128008  0.746343  0.746343  1
  Zr  Zr16  1  0.365490  0.999117  -0.000883  1
  Zr  Zr17  1  0.373414  0.999117  0.243828  1
  Zr  Zr18  1  0.380908  0.999117  0.499117  1
  Zr  Zr19  1  0.373414  0.999117  0.754406  1
  Zr  Zr20  1  0.373414  0.243828  -0.000883  1
  Zr  Zr21  1  0.377209  0.248479  0.248479  1
  Zr  Zr22  1  0.379094  0.248719  0.499117  1
  Zr  Zr23  1  0.377209  0.248479  0.749755  1
  Zr  Zr24  1  0.380908  0.499117  -0.000883  1
  Zr  Zr25  1  0.379094  0.499117  0.248719  1
  Zr  Zr26  1  0.378953  0.499117  0.499117  1
  Zr  Zr27  1  0.379094  0.499117  0.749515  1
  Zr  Zr28  1  0.373414  0.754406  -0.000883  1
  Zr  Zr29  1  0.377209  0.749755  0.248479  1
  Zr  Zr30  1  0.379094  0.749515  0.499117  1
  Zr  Zr31  1  0.377209  0.749755  0.749755  1
  Zr  Zr32  1  0.628008  0.999117  -0.000883  1
  Zr  Zr33  1  0.628008  0.999117  0.246243  1
  Zr  Zr34  1  0.628008  0.999117  0.499117  1
  Zr  Zr35  1  0.628008  0.999117  0.751992  1
  Zr  Zr36  1  0.628008  0.246243  -0.000883  1
  Zr  Zr37  1  0.628008  0.247245  0.247245  1
  Zr  Zr38  1  0.628008  0.248857  0.499117  1
  Zr  Zr39  1  0.628008  0.247245  0.750989  1
  Zr  Zr40  1  0.628008  0.499117  -0.000883  1
  Zr  Zr41  1  0.628008  0.499117  0.248857  1
  Zr  Zr42  1  0.628008  0.499117  0.499117  1
  Zr  Zr43  1  0.628008  0.499117  0.749378  1
  Zr  Zr44  1  0.628008  0.751992  -0.000883  1
  Zr  Zr45  1  0.628008  0.750989  0.247245  1
  Zr  Zr46  1  0.628008  0.749378  0.499117  1
  Zr  Zr47  1  0.628008  0.750989  0.750989  1
  Zr  Zr48  1  0.890526  0.999117  -0.000883  1
  Zr  Zr49  1  0.882602  0.999117  0.243828  1
  Zr  Zr50  1  0.875108  0.999117  0.499117  1
  Zr  Zr51  1  0.882602  0.999117  0.754406  1
  Zr  Zr52  1  0.882602  0.243828  -0.000883  1
  Zr  Zr53  1  0.878806  0.248479  0.248479  1
  Zr  Zr54  1  0.876921  0.248719  0.499117  1
  Zr  Zr55  1  0.878806  0.248479  0.749755  1
  Zr  Zr56  1  0.875108  0.499117  -0.000883  1
  Zr  Zr57  1  0.876921  0.499117  0.248719  1
  Zr  Zr58  1  0.877063  0.499117  0.499117  1
  Zr  Zr59  1  0.876921  0.499117  0.749515  1
  Zr  Zr60  1  0.882602  0.754406  -0.000883  1
  Zr  Zr61  1  0.878806  0.749755  0.248479  1
  Zr  Zr62  1  0.876921  0.749515  0.499117  1
  Zr  Zr63  1  0.878806  0.749755  0.749755  1
  Zr  Zr64  1  0.026946  0.121832  -0.000883  1
  Zr  Zr65  1  0.004864  0.123774  0.249115  1
  Zr  Zr66  1  1.002629  0.124465  0.499117  1
  Zr  Zr67  1  0.004864  0.123774  0.749119  1
  Zr  Zr68  1  0.998265  0.376813  -0.000883  1
  Zr  Zr69  1  1.002189  0.374525  0.249137  1
  Zr  Zr70  1  1.002216  0.374243  0.499117  1
  Zr  Zr71  1  1.002189  0.374525  0.749097  1
  Zr  Zr72  1  0.998265  0.621421  -0.000883  1
  Zr  Zr73  1  1.002189  0.623709  0.249137  1
  Zr  Zr74  1  1.002216  0.623991  0.499117  1
  Zr  Zr75  1  1.002189  0.623709  0.749097  1
  Zr  Zr76  1  0.026946  0.876402  -0.000883  1
  Zr  Zr77  1  0.004864  0.874460  0.249115  1
  Zr  Zr78  1  1.002629  0.873770  0.499117  1
  Zr  Zr79  1  0.004864  0.874460  0.749119  1
  Zr  Zr80  1  0.229069  0.121832  -0.000883  1
  Zr  Zr81  1  0.251152  0.123774  0.249115  1
  Zr  Zr82  1  0.253386  0.124465  0.499117  1
  Zr  Zr83  1  0.251152  0.123774  0.749119  1
  Zr  Zr84  1  0.257751  0.376813  -0.000883  1
  Zr  Zr85  1  0.253827  0.374525  0.249137  1
  Zr  Zr86  1  0.253800  0.374243  0.499117  1
  Zr  Zr87  1  0.253827  0.374525  0.749097  1
  Zr  Zr88  1  0.257751  0.621421  -0.000883  1
  Zr  Zr89  1  0.253827  0.623709  0.249137  1
  Zr  Zr90  1  0.253800  0.623991  0.499117  1
  Zr  Zr91  1  0.253827  0.623709  0.749097  1
  Zr  Zr92  1  0.229069  0.876402  -0.000883  1
  Zr  Zr93  1  0.251152  0.874460  0.249115  1
  Zr  Zr94  1  0.253386  0.873770  0.499117  1
  Zr  Zr95  1  0.251152  0.874460  0.749119  1
  Zr  Zr96  1  0.500104  0.121832  -0.000883  1
  Zr  Zr97  1  0.501212  0.122922  0.247547  1
  Zr  Zr98  1  0.503767  0.123702  0.499117  1
  Zr  Zr99  1  0.501212  0.122922  0.750687  1
  Zr  Zr100  1  0.502243  0.371693  -0.000883  1
  Zr  Zr101  1  0.503473  0.373161  0.248420  1
  Zr  Zr102  1  0.503432  0.373717  0.499117  1
  Zr  Zr103  1  0.503473  0.373161  0.749814  1
  Zr  Zr104  1  0.502243  0.626542  -0.000883  1
  Zr  Zr105  1  0.503473  0.625074  0.248420  1
  Zr  Zr106  1  0.503432  0.624517  0.499117  1
  Zr  Zr107  1  0.503473  0.625074  0.749814  1
  Zr  Zr108  1  0.500104  0.876402  -0.000883  1
  Zr  Zr109  1  0.501212  0.875313  0.247547  1
  Zr  Zr110  1  0.503767  0.874533  0.499117  1
  Zr  Zr111  1  0.501212  0.875313  0.750687  1
  Zr  Zr112  1  0.755912  0.121832  -0.000883  1
  Zr  Zr113  1  0.754803  0.122922  0.247547  1
  Zr  Zr114  1  0.752249  0.123702  0.499117  1
  Zr  Zr115  1  0.754803  0.122922  0.750687  1
  Zr  Zr116  1  0.753773  0.371693  -0.000883  1
  Zr  Zr117  1  0.752543  0.373161  0.248420  1
  Zr  Zr118  1  0.752584  0.373717  0.499117  1
  Zr  Zr119  1  0.752543  0.373161  0.749814  1
  Zr  Zr120  1  0.753773  0.626542  -0.000883  1
  Zr  Zr121  1  0.752543  0.625074  0.248420  1
  Zr  Zr122  1  0.752584  0.624517  0.499117  1
  Zr  Zr123  1  0.752543  0.625074  0.749814  1
  Zr  Zr124  1  0.755912  0.876402  -0.000883  1
  Zr  Zr125  1  0.754803  0.875313  0.247547  1
  Zr  Zr126  1  0.752249  0.874533  0.499117  1
  Zr  Zr127  1  0.754803  0.875313  0.750687  1
  Zr  Zr128  1  0.026946  0.999117  0.121832  1
  Zr  Zr129  1  0.998265  0.999117  0.376813  1
  Zr  Zr130  1  0.998265  0.999117  0.621421  1
  Zr  Zr131  1  0.026946  0.999117  0.876402  1
  Zr  Zr132  1  0.004864  0.249115  0.123774  1
  Zr  Zr133  1  1.002189  0.249137  0.374525  1
  Zr  Zr134  1  1.002189  0.249137  0.623709  1
  Zr  Zr135  1  0.004864  0.249115  0.874460  1
  Zr  Zr136  1  1.002629  0.499117  0.124465  1
  Zr  Zr137  1  1.002216  0.499117  0.374243  1
  Zr  Zr138  1  1.002216  0.499117  0.623991  1
  Zr  Zr139  1  1.002629  0.499117  0.873770  1
  Zr  Zr140  1  0.004864  0.749119  0.123774  1
  Zr  Zr141  1  1.002189  0.749097  0.374525  1
  Zr  Zr142  1  1.002189  0.749097  0.623709  1
  Zr  Zr143  1  0.004864  0.749119  0.874460  1
  Zr  Zr144  1  0.229069  0.999117  0.121832  1
  Zr  Zr145  1  0.257751  0.999117  0.376813  1
  Zr  Zr146  1  0.257751  0.999117  0.621421  1
  Zr  Zr147  1  0.229069  0.999117  0.876402  1
  Zr  Zr148  1  0.251152  0.249115  0.123774  1
  Zr  Zr149  1  0.253827  0.249137  0.374525  1
  Zr  Zr150  1  0.253827  0.249137  0.623709  1
  Zr  Zr151  1  0.251152  0.249115  0.874460  1
  Zr  Zr152  1  0.253386  0.499117  0.124465  1
  Zr  Zr153  1  0.253800  0.499117  0.374243  1
  Zr  Zr154  1  0.253800  0.499117  0.623991  1
  Zr  Zr155  1  0.253386  0.499117  0.873770  1
  Zr  Zr156  1  0.251152  0.749119  0.123774  1
  Zr  Zr157  1  0.253827  0.749097  0.374525  1
  Zr  Zr158  1  0.253827  0.749097  0.623709  1
  Zr  Zr159  1  0.251152  0.749119  0.874460  1
  Zr  Zr160  1  0.500104  0.999117  0.121832  1
  Zr  Zr161  1  0.502243  0.999117  0.371693  1
  Zr  Zr162  1  0.502243  0.999117  0.626542  1
  Zr  Zr163  1  0.500104  0.999117  0.876402  1
  Zr  Zr164  1  0.501212  0.247547  0.122922  1
  Zr  Zr165  1  0.503473  0.248420  0.373161  1
  Zr  Zr166  1  0.503473  0.248420  0.625074  1
  Zr  Zr167  1  0.501212  0.247547  0.875312  1
  Zr  Zr168  1  0.503767  0.499117  0.123702  1
  Zr  Zr169  1  0.503432  0.499117  0.373717  1
  Zr  Zr170  1  0.503432  0.499117  0.624517  1
  Zr  Zr171  1  0.503767  0.499117  0.874533  1
  Zr  Zr172  1  0.501212  0.750687  0.122922  1
  Zr  Zr173  1  0.503473  0.749814  0.373161  1
  Zr  Zr174  1  0.503473  0.749814  0.625074  1
  Zr  Zr175  1  0.501212  0.750687  0.875312  1
  Zr  Zr176  1  0.755912  0.999117  0.121832  1
  Zr  Zr177  1  0.753773  0.999117  0.371693  1
  Zr  Zr178  1  0.753773  0.999117  0.626542  1
  Zr  Zr179  1  0.755912  0.999117  0.876402  1
  Zr  Zr180  1  0.754803  0.247547  0.122922  1
  Zr  Zr181  1  0.752543  0.248420  0.373161  1
  Zr  Zr182  1  0.752543  0.248420  0.625074  1
  Zr  Zr183  1  0.754803  0.247547  0.875312  1
  Zr  Zr184  1  0.752249  0.499117  0.123702  1
  Zr  Zr185  1  0.752584  0.499117  0.373717  1
  Zr  Zr186  1  0.752584  0.499117  0.624517  1
  Zr  Zr187  1  0.752249  0.499117  0.874533  1
  Zr  Zr188  1  0.754803  0.750687  0.122922  1
  Zr  Zr189  1  0.752543  0.749814  0.373161  1
  Zr  Zr190  1  0.752543  0.749814  0.625074  1
  Zr  Zr191  1  0.754803  0.750687  0.875312  1
  Cu  Cu192  1  0.128008  0.132372  0.132372  1
  Cu  Cu193  1  0.128008  0.125660  0.376621  1
  Cu  Cu194  1  0.128008  0.125660  0.621613  1
  Cu  Cu195  1  0.128008  0.132372  0.865862  1
  Cu  Cu196  1  0.128008  0.376621  0.125660  1
  Cu  Cu197  1  0.128008  0.374752  0.374752  1
  Cu  Cu198  1  0.128008  0.374752  0.623482  1
  Cu  Cu199  1  0.128008  0.376621  0.872575  1
  Cu  Cu200  1  0.128008  0.621613  0.125660  1
  Cu  Cu201  1  0.128008  0.623482  0.374752  1
  Cu  Cu202  1  0.128008  0.623482  0.623482  1
  Cu  Cu203  1  0.128008  0.621613  0.872575  1
  Cu  Cu204  1  0.128008  0.865862  0.132372  1
  Cu  Cu205  1  0.128008  0.872575  0.376621  1
  Cu  Cu206  1  0.128008  0.872575  0.621613  1
  Cu  Cu207  1  0.128008  0.865862  0.865862  1
  Cu  Cu208  1  0.374823  0.123693  0.123693  1
  Cu  Cu209  1  0.378410  0.124235  0.373769  1
  Cu  Cu210  1  0.378410  0.124235  0.624465  1
  Cu  Cu211  1  0.374823  0.123693  0.874541  1
  Cu  Cu212  1  0.378410  0.373769  0.124235  1
  Cu  Cu213  1  0.378518  0.373983  0.373983  1
  Cu  Cu214  1  0.378518  0.373983  0.624251  1
  Cu  Cu215  1  0.378410  0.373769  0.873999  1
  Cu  Cu216  1  0.378410  0.624465  0.124235  1
  Cu  Cu217  1  0.378518  0.624251  0.373983  1
  Cu  Cu218  1  0.378518  0.624251  0.624251  1
  Cu  Cu219  1  0.378410  0.624465  0.873999  1
  Cu  Cu220  1  0.374823  0.874541  0.123693  1
  Cu  Cu221  1  0.378410  0.873999  0.373769  1
  Cu  Cu222  1  0.378410  0.873999  0.624465  1
  Cu  Cu223  1  0.374823  0.874541  0.874541  1
  Cu  Cu224  1  0.628008  0.123322  0.123322  1
  Cu  Cu225  1  0.628008  0.123710  0.373207  1
  Cu  Cu226  1  0.628008  0.123710  0.625028  1
  Cu  Cu227  1  0.628008  0.123322  0.874913  1
  Cu  Cu228  1  0.628008  0.373207  0.123710  1
  Cu  Cu229  1  0.628008  0.373776  0.373776  1
  Cu  Cu230  1  0.628008  0.373776  0.624458  1
  Cu  Cu231  1  0.628008  0.373207  0.874524  1
  Cu  Cu232  1  0.628008  0.625028  0.123710  1
  Cu  Cu233  1  0.628008  0.624458  0.373776  1
  Cu  Cu234  1  0.628008  0.624458  0.624458  1
  Cu  Cu235  1  0.628008  0.625028  0.874524  1
  Cu  Cu236  1  0.628008  0.874913  0.123322  1
  Cu  Cu237  1  0.628008  0.874524  0.373207  1
  Cu  Cu238  1  0.628008  0.874524  0.625028  1
  Cu  Cu239  1  0.628008  0.874913  0.874913  1
  Cu  Cu240  1  0.881193  0.123693  0.123693  1
  Cu  Cu241  1  0.877606  0.124235  0.373769  1
  Cu  Cu242  1  0.877606  0.124235  0.624465  1
  Cu  Cu243  1  0.881193  0.123693  0.874541  1
  Cu  Cu244  1  0.877606  0.373769  0.124235  1
  Cu  Cu245  1  0.877497  0.373983  0.373983  1
  Cu  Cu246  1  0.877497  0.373983  0.624251  1
  Cu  Cu247  1  0.877606  0.373769  0.873999  1
  Cu  Cu248  1  0.877606  0.624465  0.124235  1
  Cu  Cu249  1  0.877497  0.624251  0.373983  1
  Cu  Cu250  1  0.877497  0.624251  0.624251  1
  Cu  Cu251  1  0.877606  0.624465  0.873999  1
  Cu  Cu252  1  0.881193  0.874541  0.123693  1
  Cu  Cu253  1  0.877606  0.873999  0.373769  1
  Cu  Cu254  1  0.877606  0.873999  0.624465  1
  Cu  Cu255  1  0.881193  0.874541  0.874541  1
