# generated using pymatgen
data_Zr191Cu64
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.30111810
_cell_length_b   17.30111810
_cell_length_c   17.27152502
_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   5169.86291377
_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  -0.000100  0.999900  0.374368  1
  Zr  Zr2  1  -0.000100  0.999900  0.625757  1
  Zr  Zr3  1  -0.000100  0.999900  0.877145  1
  Zr  Zr4  1  -0.000100  0.253126  0.125757  1
  Zr  Zr5  1  -0.000100  0.248116  0.374202  1
  Zr  Zr6  1  -0.000100  0.249666  0.625757  1
  Zr  Zr7  1  -0.000100  0.248116  0.877311  1
  Zr  Zr8  1  -0.000100  0.499900  0.125757  1
  Zr  Zr9  1  -0.000100  0.499900  0.376220  1
  Zr  Zr10  1  -0.000100  0.499900  0.625757  1
  Zr  Zr11  1  -0.000100  0.499900  0.875294  1
  Zr  Zr12  1  -0.000100  0.746675  0.125757  1
  Zr  Zr13  1  -0.000100  0.751684  0.374202  1
  Zr  Zr14  1  -0.000100  0.750134  0.625757  1
  Zr  Zr15  1  -0.000100  0.751684  0.877311  1
  Zr  Zr16  1  0.253126  0.999900  0.125757  1
  Zr  Zr17  1  0.248116  0.999900  0.374202  1
  Zr  Zr18  1  0.249666  0.999900  0.625757  1
  Zr  Zr19  1  0.248116  0.999900  0.877311  1
  Zr  Zr20  1  0.250305  0.250305  0.125757  1
  Zr  Zr21  1  0.249624  0.249624  0.375487  1
  Zr  Zr22  1  0.249549  0.249549  0.625757  1
  Zr  Zr23  1  0.249624  0.249624  0.876026  1
  Zr  Zr24  1  0.250186  0.499900  0.125757  1
  Zr  Zr25  1  0.249799  0.499900  0.375920  1
  Zr  Zr26  1  0.249832  0.499900  0.625757  1
  Zr  Zr27  1  0.249799  0.499900  0.875593  1
  Zr  Zr28  1  0.250305  0.749495  0.125757  1
  Zr  Zr29  1  0.249624  0.750176  0.375487  1
  Zr  Zr30  1  0.249549  0.750252  0.625757  1
  Zr  Zr31  1  0.249624  0.750176  0.876026  1
  Zr  Zr32  1  0.499900  0.999900  0.125757  1
  Zr  Zr33  1  0.499900  0.999900  0.376220  1
  Zr  Zr34  1  0.499900  0.999900  0.625757  1
  Zr  Zr35  1  0.499900  0.999900  0.875294  1
  Zr  Zr36  1  0.499900  0.250186  0.125757  1
  Zr  Zr37  1  0.499900  0.249799  0.375920  1
  Zr  Zr38  1  0.499900  0.249832  0.625757  1
  Zr  Zr39  1  0.499900  0.249799  0.875593  1
  Zr  Zr40  1  0.499900  0.499900  0.125757  1
  Zr  Zr41  1  0.499900  0.499900  0.375877  1
  Zr  Zr42  1  0.499900  0.499900  0.625757  1
  Zr  Zr43  1  0.499900  0.499900  0.875636  1
  Zr  Zr44  1  0.499900  0.749614  0.125757  1
  Zr  Zr45  1  0.499900  0.750001  0.375920  1
  Zr  Zr46  1  0.499900  0.749968  0.625757  1
  Zr  Zr47  1  0.499900  0.750001  0.875593  1
  Zr  Zr48  1  0.746675  0.999900  0.125757  1
  Zr  Zr49  1  0.751684  0.999900  0.374202  1
  Zr  Zr50  1  0.750134  0.999900  0.625757  1
  Zr  Zr51  1  0.751684  0.999900  0.877311  1
  Zr  Zr52  1  0.749495  0.250305  0.125757  1
  Zr  Zr53  1  0.750176  0.249624  0.375487  1
  Zr  Zr54  1  0.750252  0.249549  0.625757  1
  Zr  Zr55  1  0.750176  0.249624  0.876026  1
  Zr  Zr56  1  0.749614  0.499900  0.125757  1
  Zr  Zr57  1  0.750001  0.499900  0.375920  1
  Zr  Zr58  1  0.749968  0.499900  0.625757  1
  Zr  Zr59  1  0.750001  0.499900  0.875593  1
  Zr  Zr60  1  0.749495  0.749495  0.125757  1
  Zr  Zr61  1  0.750176  0.750176  0.375487  1
  Zr  Zr62  1  0.750252  0.750252  0.625757  1
  Zr  Zr63  1  0.750176  0.750176  0.876026  1
  Zr  Zr64  1  -0.000100  0.122180  0.007582  1
  Zr  Zr65  1  -0.000100  0.122180  0.243931  1
  Zr  Zr66  1  -0.000100  0.124550  0.500465  1
  Zr  Zr67  1  -0.000100  0.124550  0.751049  1
  Zr  Zr68  1  -0.000100  0.375439  1.000015  1
  Zr  Zr69  1  -0.000100  0.375439  0.251498  1
  Zr  Zr70  1  -0.000100  0.374221  0.500267  1
  Zr  Zr71  1  -0.000100  0.374221  0.751247  1
  Zr  Zr72  1  -0.000100  0.624361  1.000015  1
  Zr  Zr73  1  -0.000100  0.624361  0.251498  1
  Zr  Zr74  1  -0.000100  0.625579  0.500267  1
  Zr  Zr75  1  -0.000100  0.625579  0.751247  1
  Zr  Zr76  1  -0.000100  0.877621  0.007582  1
  Zr  Zr77  1  -0.000100  0.877621  0.243931  1
  Zr  Zr78  1  -0.000100  0.875250  0.500465  1
  Zr  Zr79  1  -0.000100  0.875250  0.751049  1
  Zr  Zr80  1  0.249314  0.124442  0.001168  1
  Zr  Zr81  1  0.249314  0.124442  0.250345  1
  Zr  Zr82  1  0.249504  0.124614  0.500301  1
  Zr  Zr83  1  0.249504  0.124614  0.751212  1
  Zr  Zr84  1  0.249716  0.374781  1.000648  1
  Zr  Zr85  1  0.249716  0.374781  0.250865  1
  Zr  Zr86  1  0.249743  0.374689  0.500789  1
  Zr  Zr87  1  0.249743  0.374689  0.750724  1
  Zr  Zr88  1  0.249716  0.625020  1.000648  1
  Zr  Zr89  1  0.249716  0.625020  0.250865  1
  Zr  Zr90  1  0.249743  0.625111  0.500789  1
  Zr  Zr91  1  0.249743  0.625111  0.750724  1
  Zr  Zr92  1  0.249314  0.875358  0.001168  1
  Zr  Zr93  1  0.249314  0.875358  0.250345  1
  Zr  Zr94  1  0.249504  0.875187  0.500301  1
  Zr  Zr95  1  0.249504  0.875187  0.751212  1
  Zr  Zr96  1  0.499900  0.125009  1.000610  1
  Zr  Zr97  1  0.499900  0.125009  0.250903  1
  Zr  Zr98  1  0.499900  0.124750  0.500880  1
  Zr  Zr99  1  0.499900  0.124750  0.750633  1
  Zr  Zr100  1  0.499900  0.374836  1.000619  1
  Zr  Zr101  1  0.499900  0.374836  0.250895  1
  Zr  Zr102  1  0.499900  0.374810  0.500805  1
  Zr  Zr103  1  0.499900  0.374810  0.750708  1
  Zr  Zr104  1  0.499900  0.624964  1.000619  1
  Zr  Zr105  1  0.499900  0.624964  0.250895  1
  Zr  Zr106  1  0.499900  0.624990  0.500805  1
  Zr  Zr107  1  0.499900  0.624990  0.750708  1
  Zr  Zr108  1  0.499900  0.874791  1.000610  1
  Zr  Zr109  1  0.499900  0.874791  0.250903  1
  Zr  Zr110  1  0.499900  0.875050  0.500880  1
  Zr  Zr111  1  0.499900  0.875050  0.750633  1
  Zr  Zr112  1  0.750487  0.124442  0.001168  1
  Zr  Zr113  1  0.750487  0.124442  0.250345  1
  Zr  Zr114  1  0.750296  0.124614  0.500301  1
  Zr  Zr115  1  0.750296  0.124614  0.751212  1
  Zr  Zr116  1  0.750085  0.374781  1.000648  1
  Zr  Zr117  1  0.750085  0.374781  0.250865  1
  Zr  Zr118  1  0.750057  0.374689  0.500789  1
  Zr  Zr119  1  0.750057  0.374689  0.750724  1
  Zr  Zr120  1  0.750085  0.625020  1.000648  1
  Zr  Zr121  1  0.750085  0.625020  0.250865  1
  Zr  Zr122  1  0.750057  0.625111  0.500789  1
  Zr  Zr123  1  0.750057  0.625111  0.750724  1
  Zr  Zr124  1  0.750487  0.875358  0.001168  1
  Zr  Zr125  1  0.750487  0.875358  0.250345  1
  Zr  Zr126  1  0.750296  0.875187  0.500301  1
  Zr  Zr127  1  0.750296  0.875187  0.751212  1
  Zr  Zr128  1  0.122180  0.999900  0.007582  1
  Zr  Zr129  1  0.122180  0.999900  0.243931  1
  Zr  Zr130  1  0.124550  0.999900  0.500465  1
  Zr  Zr131  1  0.124550  0.999900  0.751049  1
  Zr  Zr132  1  0.124442  0.249314  0.001168  1
  Zr  Zr133  1  0.124442  0.249314  0.250345  1
  Zr  Zr134  1  0.124614  0.249504  0.500301  1
  Zr  Zr135  1  0.124614  0.249504  0.751212  1
  Zr  Zr136  1  0.125009  0.499900  1.000610  1
  Zr  Zr137  1  0.125009  0.499900  0.250903  1
  Zr  Zr138  1  0.124750  0.499900  0.500880  1
  Zr  Zr139  1  0.124750  0.499900  0.750633  1
  Zr  Zr140  1  0.124442  0.750487  0.001168  1
  Zr  Zr141  1  0.124442  0.750487  0.250345  1
  Zr  Zr142  1  0.124614  0.750296  0.500301  1
  Zr  Zr143  1  0.124614  0.750296  0.751212  1
  Zr  Zr144  1  0.375439  0.999900  1.000015  1
  Zr  Zr145  1  0.375439  0.999900  0.251498  1
  Zr  Zr146  1  0.374221  0.999900  0.500267  1
  Zr  Zr147  1  0.374221  0.999900  0.751247  1
  Zr  Zr148  1  0.374781  0.249716  1.000648  1
  Zr  Zr149  1  0.374781  0.249716  0.250865  1
  Zr  Zr150  1  0.374689  0.249743  0.500789  1
  Zr  Zr151  1  0.374689  0.249743  0.750724  1
  Zr  Zr152  1  0.374836  0.499900  1.000619  1
  Zr  Zr153  1  0.374836  0.499900  0.250895  1
  Zr  Zr154  1  0.374810  0.499900  0.500805  1
  Zr  Zr155  1  0.374810  0.499900  0.750708  1
  Zr  Zr156  1  0.374781  0.750085  1.000648  1
  Zr  Zr157  1  0.374781  0.750085  0.250865  1
  Zr  Zr158  1  0.374689  0.750057  0.500789  1
  Zr  Zr159  1  0.374689  0.750057  0.750724  1
  Zr  Zr160  1  0.624361  0.999900  1.000015  1
  Zr  Zr161  1  0.624361  0.999900  0.251498  1
  Zr  Zr162  1  0.625579  0.999900  0.500267  1
  Zr  Zr163  1  0.625579  0.999900  0.751247  1
  Zr  Zr164  1  0.625020  0.249716  1.000648  1
  Zr  Zr165  1  0.625020  0.249716  0.250865  1
  Zr  Zr166  1  0.625111  0.249743  0.500789  1
  Zr  Zr167  1  0.625111  0.249743  0.750724  1
  Zr  Zr168  1  0.624964  0.499900  1.000619  1
  Zr  Zr169  1  0.624964  0.499900  0.250895  1
  Zr  Zr170  1  0.624990  0.499900  0.500805  1
  Zr  Zr171  1  0.624990  0.499900  0.750708  1
  Zr  Zr172  1  0.625020  0.750085  1.000648  1
  Zr  Zr173  1  0.625020  0.750085  0.250865  1
  Zr  Zr174  1  0.625111  0.750057  0.500789  1
  Zr  Zr175  1  0.625111  0.750057  0.750724  1
  Zr  Zr176  1  0.877621  0.999900  0.007582  1
  Zr  Zr177  1  0.877621  0.999900  0.243931  1
  Zr  Zr178  1  0.875250  0.999900  0.500465  1
  Zr  Zr179  1  0.875250  0.999900  0.751049  1
  Zr  Zr180  1  0.875358  0.249314  0.001168  1
  Zr  Zr181  1  0.875358  0.249314  0.250345  1
  Zr  Zr182  1  0.875187  0.249504  0.500301  1
  Zr  Zr183  1  0.875187  0.249504  0.751212  1
  Zr  Zr184  1  0.874791  0.499900  1.000610  1
  Zr  Zr185  1  0.874791  0.499900  0.250903  1
  Zr  Zr186  1  0.875050  0.499900  0.500880  1
  Zr  Zr187  1  0.875050  0.499900  0.750633  1
  Zr  Zr188  1  0.875358  0.750487  0.001168  1
  Zr  Zr189  1  0.875358  0.750487  0.250345  1
  Zr  Zr190  1  0.875187  0.750296  0.500301  1
  Zr  Zr191  1  0.875187  0.750296  0.751212  1
  Cu  Cu192  1  0.127534  0.127534  0.125757  1
  Cu  Cu193  1  0.124265  0.124265  0.374624  1
  Cu  Cu194  1  0.124719  0.124719  0.625757  1
  Cu  Cu195  1  0.124265  0.124265  0.876890  1
  Cu  Cu196  1  0.125143  0.375439  0.125757  1
  Cu  Cu197  1  0.124853  0.374788  0.375758  1
  Cu  Cu198  1  0.124814  0.374735  0.625757  1
  Cu  Cu199  1  0.124853  0.374788  0.875755  1
  Cu  Cu200  1  0.125143  0.624361  0.125757  1
  Cu  Cu201  1  0.124853  0.625012  0.375758  1
  Cu  Cu202  1  0.124814  0.625065  0.625757  1
  Cu  Cu203  1  0.124853  0.625012  0.875755  1
  Cu  Cu204  1  0.127534  0.872266  0.125757  1
  Cu  Cu205  1  0.124265  0.875536  0.374624  1
  Cu  Cu206  1  0.124719  0.875081  0.625757  1
  Cu  Cu207  1  0.124265  0.875536  0.876890  1
  Cu  Cu208  1  0.375439  0.125143  0.125757  1
  Cu  Cu209  1  0.374788  0.124853  0.375758  1
  Cu  Cu210  1  0.374735  0.124814  0.625757  1
  Cu  Cu211  1  0.374788  0.124853  0.875755  1
  Cu  Cu212  1  0.374983  0.374983  0.125757  1
  Cu  Cu213  1  0.374834  0.374834  0.375793  1
  Cu  Cu214  1  0.374829  0.374829  0.625757  1
  Cu  Cu215  1  0.374834  0.374834  0.875720  1
  Cu  Cu216  1  0.374983  0.624817  0.125757  1
  Cu  Cu217  1  0.374834  0.624966  0.375793  1
  Cu  Cu218  1  0.374829  0.624972  0.625757  1
  Cu  Cu219  1  0.374834  0.624966  0.875720  1
  Cu  Cu220  1  0.375439  0.874657  0.125757  1
  Cu  Cu221  1  0.374788  0.874947  0.375758  1
  Cu  Cu222  1  0.374735  0.874986  0.625757  1
  Cu  Cu223  1  0.374788  0.874947  0.875755  1
  Cu  Cu224  1  0.624361  0.125143  0.125757  1
  Cu  Cu225  1  0.625012  0.124853  0.375758  1
  Cu  Cu226  1  0.625065  0.124814  0.625757  1
  Cu  Cu227  1  0.625012  0.124853  0.875755  1
  Cu  Cu228  1  0.624817  0.374983  0.125757  1
  Cu  Cu229  1  0.624966  0.374834  0.375793  1
  Cu  Cu230  1  0.624972  0.374829  0.625757  1
  Cu  Cu231  1  0.624966  0.374834  0.875720  1
  Cu  Cu232  1  0.624817  0.624817  0.125757  1
  Cu  Cu233  1  0.624966  0.624966  0.375793  1
  Cu  Cu234  1  0.624972  0.624972  0.625757  1
  Cu  Cu235  1  0.624966  0.624966  0.875720  1
  Cu  Cu236  1  0.624361  0.874657  0.125757  1
  Cu  Cu237  1  0.625012  0.874947  0.375758  1
  Cu  Cu238  1  0.625065  0.874986  0.625757  1
  Cu  Cu239  1  0.625012  0.874947  0.875755  1
  Cu  Cu240  1  0.872266  0.127534  0.125757  1
  Cu  Cu241  1  0.875536  0.124265  0.374624  1
  Cu  Cu242  1  0.875081  0.124719  0.625757  1
  Cu  Cu243  1  0.875536  0.124265  0.876890  1
  Cu  Cu244  1  0.874657  0.375439  0.125757  1
  Cu  Cu245  1  0.874947  0.374788  0.375758  1
  Cu  Cu246  1  0.874986  0.374735  0.625757  1
  Cu  Cu247  1  0.874947  0.374788  0.875755  1
  Cu  Cu248  1  0.874657  0.624361  0.125757  1
  Cu  Cu249  1  0.874947  0.625012  0.375758  1
  Cu  Cu250  1  0.874986  0.625065  0.625757  1
  Cu  Cu251  1  0.874947  0.625012  0.875755  1
  Cu  Cu252  1  0.872266  0.872266  0.125757  1
  Cu  Cu253  1  0.875536  0.875536  0.374624  1
  Cu  Cu254  1  0.875081  0.875081  0.625757  1
  Cu  Cu255  1  0.875536  0.875536  0.876890  1
