# generated using pymatgen
data_Zr200Cu99
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.97063894
_cell_length_b   16.97063894
_cell_length_c   21.00053724
_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   6048.20903163
_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  1.000099  1.000099  0.425425  1
  Zr  Zr2  1  0.001431  0.001431  0.926323  1
  Zr  Zr3  1  1.000099  0.200291  0.425425  1
  Zr  Zr4  1  0.001431  0.198960  0.926323  1
  Zr  Zr5  1  0.000201  0.400275  0.425443  1
  Zr  Zr6  1  1.000185  0.399436  0.925403  1
  Zr  Zr7  1  0.000195  0.600195  0.425428  1
  Zr  Zr8  1  0.000235  0.600195  0.925456  1
  Zr  Zr9  1  0.000201  0.800115  0.425443  1
  Zr  Zr10  1  1.000185  0.800954  0.925403  1
  Zr  Zr11  1  0.200291  1.000099  0.425425  1
  Zr  Zr12  1  0.198960  0.001431  0.926323  1
  Zr  Zr13  1  0.200291  0.200291  0.425425  1
  Zr  Zr14  1  0.198960  0.198960  0.926323  1
  Zr  Zr15  1  0.200189  0.400275  0.425443  1
  Zr  Zr16  1  0.200206  0.399436  0.925403  1
  Zr  Zr17  1  0.200195  0.600195  0.425428  1
  Zr  Zr18  1  0.200156  0.600195  0.925456  1
  Zr  Zr19  1  0.200189  0.800115  0.425443  1
  Zr  Zr20  1  0.200206  0.800954  0.925403  1
  Zr  Zr21  1  0.400275  0.000201  0.425443  1
  Zr  Zr22  1  0.399436  1.000185  0.925403  1
  Zr  Zr23  1  0.400275  0.200189  0.425443  1
  Zr  Zr24  1  0.399436  0.200206  0.925403  1
  Zr  Zr25  1  0.400207  0.400207  0.425410  1
  Zr  Zr26  1  0.400313  0.400313  0.925476  1
  Zr  Zr27  1  0.400195  0.600195  0.425398  1
  Zr  Zr28  1  0.400054  0.600195  0.925545  1
  Zr  Zr29  1  0.400207  0.800184  0.425410  1
  Zr  Zr30  1  0.400313  0.800077  0.925476  1
  Zr  Zr31  1  0.600195  0.000195  0.425428  1
  Zr  Zr32  1  0.600195  0.000235  0.925456  1
  Zr  Zr33  1  0.600195  0.200195  0.425428  1
  Zr  Zr34  1  0.600195  0.200156  0.925456  1
  Zr  Zr35  1  0.600195  0.400195  0.425398  1
  Zr  Zr36  1  0.600195  0.400054  0.925545  1
  Zr  Zr37  1  0.600195  0.600195  0.425397  1
  Zr  Zr38  1  0.600195  0.600195  0.925421  1
  Zr  Zr39  1  0.600195  0.800195  0.425398  1
  Zr  Zr40  1  0.600195  0.800336  0.925545  1
  Zr  Zr41  1  0.800115  0.000201  0.425443  1
  Zr  Zr42  1  0.800954  1.000185  0.925403  1
  Zr  Zr43  1  0.800115  0.200189  0.425443  1
  Zr  Zr44  1  0.800954  0.200206  0.925403  1
  Zr  Zr45  1  0.800184  0.400207  0.425410  1
  Zr  Zr46  1  0.800077  0.400313  0.925476  1
  Zr  Zr47  1  0.800195  0.600195  0.425398  1
  Zr  Zr48  1  0.800336  0.600195  0.925545  1
  Zr  Zr49  1  0.800184  0.800184  0.425410  1
  Zr  Zr50  1  0.800077  0.800077  0.925476  1
  Zr  Zr51  1  0.100195  0.100195  0.325119  1
  Zr  Zr52  1  0.100195  0.100195  0.821993  1
  Zr  Zr53  1  0.100195  0.300452  0.324273  1
  Zr  Zr54  1  0.100195  0.299315  0.824545  1
  Zr  Zr55  1  0.100195  0.500314  0.324058  1
  Zr  Zr56  1  0.100195  0.499922  0.824456  1
  Zr  Zr57  1  0.100195  0.700076  0.324058  1
  Zr  Zr58  1  0.100195  0.700468  0.824456  1
  Zr  Zr59  1  0.100195  0.899938  0.324273  1
  Zr  Zr60  1  0.100195  0.901076  0.824545  1
  Zr  Zr61  1  0.300452  0.100195  0.324273  1
  Zr  Zr62  1  0.299315  0.100195  0.824545  1
  Zr  Zr63  1  0.300403  0.300403  0.324301  1
  Zr  Zr64  1  0.300060  0.300060  0.824225  1
  Zr  Zr65  1  0.300078  0.500254  0.324076  1
  Zr  Zr66  1  0.300213  0.500118  0.824374  1
  Zr  Zr67  1  0.300078  0.700136  0.324076  1
  Zr  Zr68  1  0.300213  0.700273  0.824374  1
  Zr  Zr69  1  0.300403  0.899987  0.324301  1
  Zr  Zr70  1  0.300060  0.900330  0.824225  1
  Zr  Zr71  1  0.500314  0.100195  0.324058  1
  Zr  Zr72  1  0.499922  0.100195  0.824456  1
  Zr  Zr73  1  0.500254  0.300078  0.324076  1
  Zr  Zr74  1  0.500118  0.300213  0.824374  1
  Zr  Zr75  1  0.500143  0.500143  0.324173  1
  Zr  Zr76  1  0.500220  0.500220  0.824280  1
  Zr  Zr77  1  0.500143  0.700248  0.324173  1
  Zr  Zr78  1  0.500220  0.700170  0.824280  1
  Zr  Zr79  1  0.500254  0.900312  0.324076  1
  Zr  Zr80  1  0.500118  0.900178  0.824374  1
  Zr  Zr81  1  0.700076  0.100195  0.324058  1
  Zr  Zr82  1  0.700468  0.100195  0.824456  1
  Zr  Zr83  1  0.700136  0.300078  0.324076  1
  Zr  Zr84  1  0.700273  0.300213  0.824374  1
  Zr  Zr85  1  0.700248  0.500143  0.324173  1
  Zr  Zr86  1  0.700170  0.500220  0.824280  1
  Zr  Zr87  1  0.700248  0.700248  0.324173  1
  Zr  Zr88  1  0.700170  0.700170  0.824280  1
  Zr  Zr89  1  0.700136  0.900312  0.324076  1
  Zr  Zr90  1  0.700273  0.900178  0.824374  1
  Zr  Zr91  1  0.899938  0.100195  0.324273  1
  Zr  Zr92  1  0.901076  0.100195  0.824545  1
  Zr  Zr93  1  0.899987  0.300403  0.324301  1
  Zr  Zr94  1  0.900330  0.300060  0.824225  1
  Zr  Zr95  1  0.900312  0.500254  0.324076  1
  Zr  Zr96  1  0.900178  0.500118  0.824374  1
  Zr  Zr97  1  0.900312  0.700136  0.324076  1
  Zr  Zr98  1  0.900178  0.700273  0.824374  1
  Zr  Zr99  1  0.899987  0.899987  0.324301  1
  Zr  Zr100  1  0.900330  0.900330  0.824225  1
  Zr  Zr101  1  0.100195  0.100195  0.177664  1
  Zr  Zr102  1  0.100195  0.100195  0.674538  1
  Zr  Zr103  1  0.100195  0.299315  0.175112  1
  Zr  Zr104  1  0.100195  0.300452  0.675384  1
  Zr  Zr105  1  0.100195  0.499922  0.175201  1
  Zr  Zr106  1  0.100195  0.500314  0.675599  1
  Zr  Zr107  1  0.100195  0.700468  0.175201  1
  Zr  Zr108  1  0.100195  0.700076  0.675599  1
  Zr  Zr109  1  0.100195  0.901076  0.175112  1
  Zr  Zr110  1  0.100195  0.899938  0.675384  1
  Zr  Zr111  1  0.299315  0.100195  0.175112  1
  Zr  Zr112  1  0.300452  0.100195  0.675384  1
  Zr  Zr113  1  0.300060  0.300060  0.175432  1
  Zr  Zr114  1  0.300403  0.300403  0.675356  1
  Zr  Zr115  1  0.300213  0.500118  0.175283  1
  Zr  Zr116  1  0.300078  0.500254  0.675581  1
  Zr  Zr117  1  0.300213  0.700273  0.175283  1
  Zr  Zr118  1  0.300078  0.700136  0.675581  1
  Zr  Zr119  1  0.300060  0.900330  0.175432  1
  Zr  Zr120  1  0.300403  0.899987  0.675356  1
  Zr  Zr121  1  0.499922  0.100195  0.175201  1
  Zr  Zr122  1  0.500314  0.100195  0.675599  1
  Zr  Zr123  1  0.500118  0.300213  0.175283  1
  Zr  Zr124  1  0.500254  0.300078  0.675581  1
  Zr  Zr125  1  0.500220  0.500220  0.175377  1
  Zr  Zr126  1  0.500143  0.500143  0.675484  1
  Zr  Zr127  1  0.500220  0.700170  0.175377  1
  Zr  Zr128  1  0.500143  0.700248  0.675484  1
  Zr  Zr129  1  0.500118  0.900178  0.175283  1
  Zr  Zr130  1  0.500254  0.900312  0.675581  1
  Zr  Zr131  1  0.700468  0.100195  0.175201  1
  Zr  Zr132  1  0.700076  0.100195  0.675599  1
  Zr  Zr133  1  0.700273  0.300213  0.175283  1
  Zr  Zr134  1  0.700136  0.300078  0.675581  1
  Zr  Zr135  1  0.700170  0.500220  0.175377  1
  Zr  Zr136  1  0.700248  0.500143  0.675484  1
  Zr  Zr137  1  0.700170  0.700170  0.175377  1
  Zr  Zr138  1  0.700248  0.700248  0.675484  1
  Zr  Zr139  1  0.700273  0.900178  0.175283  1
  Zr  Zr140  1  0.700136  0.900312  0.675581  1
  Zr  Zr141  1  0.901076  0.100195  0.175112  1
  Zr  Zr142  1  0.899938  0.100195  0.675384  1
  Zr  Zr143  1  0.900330  0.300060  0.175432  1
  Zr  Zr144  1  0.899987  0.300403  0.675356  1
  Zr  Zr145  1  0.900178  0.500118  0.175283  1
  Zr  Zr146  1  0.900312  0.500254  0.675581  1
  Zr  Zr147  1  0.900178  0.700273  0.175283  1
  Zr  Zr148  1  0.900312  0.700136  0.675581  1
  Zr  Zr149  1  0.900330  0.900330  0.175432  1
  Zr  Zr150  1  0.899987  0.899987  0.675356  1
  Zr  Zr151  1  0.001431  0.001431  0.073334  1
  Zr  Zr152  1  1.000099  1.000099  0.574232  1
  Zr  Zr153  1  0.001431  0.198960  0.073334  1
  Zr  Zr154  1  1.000099  0.200291  0.574232  1
  Zr  Zr155  1  1.000185  0.399436  0.074254  1
  Zr  Zr156  1  0.000201  0.400275  0.574214  1
  Zr  Zr157  1  0.000235  0.600195  0.074201  1
  Zr  Zr158  1  0.000195  0.600195  0.574229  1
  Zr  Zr159  1  1.000185  0.800954  0.074254  1
  Zr  Zr160  1  0.000201  0.800115  0.574214  1
  Zr  Zr161  1  0.198960  0.001431  0.073334  1
  Zr  Zr162  1  0.200291  1.000099  0.574232  1
  Zr  Zr163  1  0.198960  0.198960  0.073334  1
  Zr  Zr164  1  0.200291  0.200291  0.574232  1
  Zr  Zr165  1  0.200206  0.399436  0.074254  1
  Zr  Zr166  1  0.200189  0.400275  0.574214  1
  Zr  Zr167  1  0.200156  0.600195  0.074201  1
  Zr  Zr168  1  0.200195  0.600195  0.574229  1
  Zr  Zr169  1  0.200206  0.800954  0.074254  1
  Zr  Zr170  1  0.200189  0.800115  0.574214  1
  Zr  Zr171  1  0.399436  1.000185  0.074254  1
  Zr  Zr172  1  0.400275  0.000201  0.574214  1
  Zr  Zr173  1  0.399436  0.200206  0.074254  1
  Zr  Zr174  1  0.400275  0.200189  0.574214  1
  Zr  Zr175  1  0.400313  0.400313  0.074181  1
  Zr  Zr176  1  0.400207  0.400207  0.574247  1
  Zr  Zr177  1  0.400054  0.600195  0.074112  1
  Zr  Zr178  1  0.400195  0.600195  0.574259  1
  Zr  Zr179  1  0.400313  0.800077  0.074181  1
  Zr  Zr180  1  0.400207  0.800184  0.574247  1
  Zr  Zr181  1  0.600195  0.000235  0.074201  1
  Zr  Zr182  1  0.600195  0.000195  0.574229  1
  Zr  Zr183  1  0.600195  0.200156  0.074201  1
  Zr  Zr184  1  0.600195  0.200195  0.574229  1
  Zr  Zr185  1  0.600195  0.400054  0.074112  1
  Zr  Zr186  1  0.600195  0.400195  0.574259  1
  Zr  Zr187  1  0.600195  0.600195  0.074236  1
  Zr  Zr188  1  0.600195  0.600195  0.574260  1
  Zr  Zr189  1  0.600195  0.800336  0.074112  1
  Zr  Zr190  1  0.600195  0.800195  0.574259  1
  Zr  Zr191  1  0.800954  1.000185  0.074254  1
  Zr  Zr192  1  0.800115  0.000201  0.574214  1
  Zr  Zr193  1  0.800954  0.200206  0.074254  1
  Zr  Zr194  1  0.800115  0.200189  0.574214  1
  Zr  Zr195  1  0.800077  0.400313  0.074181  1
  Zr  Zr196  1  0.800184  0.400207  0.574247  1
  Zr  Zr197  1  0.800336  0.600195  0.074112  1
  Zr  Zr198  1  0.800195  0.600195  0.574259  1
  Zr  Zr199  1  0.800077  0.800077  0.074181  1
  Zr  Zr200  1  0.800184  0.800184  0.574247  1
  Cu  Cu201  1  0.100195  0.100195  0.499829  1
  Cu  Cu202  1  0.100195  0.301340  -0.000171  1
  Cu  Cu203  1  0.100195  0.300222  0.499829  1
  Cu  Cu204  1  0.100195  0.499805  -0.000171  1
  Cu  Cu205  1  0.100195  0.500239  0.499829  1
  Cu  Cu206  1  0.100195  0.700585  -0.000171  1
  Cu  Cu207  1  0.100195  0.700151  0.499829  1
  Cu  Cu208  1  0.100195  0.899050  -0.000171  1
  Cu  Cu209  1  0.100195  0.900169  0.499829  1
  Cu  Cu210  1  0.301340  0.100195  -0.000171  1
  Cu  Cu211  1  0.300222  0.100195  0.499829  1
  Cu  Cu212  1  0.300053  0.300053  -0.000171  1
  Cu  Cu213  1  0.300226  0.300226  0.499829  1
  Cu  Cu214  1  0.299887  0.499936  -0.000171  1
  Cu  Cu215  1  0.300220  0.500228  0.499829  1
  Cu  Cu216  1  0.299887  0.700455  -0.000171  1
  Cu  Cu217  1  0.300220  0.700163  0.499829  1
  Cu  Cu218  1  0.300053  0.900338  -0.000171  1
  Cu  Cu219  1  0.300226  0.900165  0.499829  1
  Cu  Cu220  1  0.499805  0.100195  -0.000171  1
  Cu  Cu221  1  0.500239  0.100195  0.499829  1
  Cu  Cu222  1  0.499936  0.299887  -0.000171  1
  Cu  Cu223  1  0.500228  0.300220  0.499829  1
  Cu  Cu224  1  0.500284  0.500284  -0.000171  1
  Cu  Cu225  1  0.500187  0.500187  0.499829  1
  Cu  Cu226  1  0.500284  0.700106  -0.000171  1
  Cu  Cu227  1  0.500187  0.700204  0.499829  1
  Cu  Cu228  1  0.499936  0.900503  -0.000171  1
  Cu  Cu229  1  0.500228  0.900171  0.499829  1
  Cu  Cu230  1  0.700585  0.100195  -0.000171  1
  Cu  Cu231  1  0.700151  0.100195  0.499829  1
  Cu  Cu232  1  0.700455  0.299887  -0.000171  1
  Cu  Cu233  1  0.700163  0.300220  0.499829  1
  Cu  Cu234  1  0.700106  0.500284  -0.000171  1
  Cu  Cu235  1  0.700204  0.500187  0.499829  1
  Cu  Cu236  1  0.700106  0.700106  -0.000171  1
  Cu  Cu237  1  0.700204  0.700204  0.499829  1
  Cu  Cu238  1  0.700455  0.900503  -0.000171  1
  Cu  Cu239  1  0.700163  0.900171  0.499829  1
  Cu  Cu240  1  0.899050  0.100195  -0.000171  1
  Cu  Cu241  1  0.900169  0.100195  0.499829  1
  Cu  Cu242  1  0.900338  0.300053  -0.000171  1
  Cu  Cu243  1  0.900165  0.300226  0.499829  1
  Cu  Cu244  1  0.900503  0.499936  -0.000171  1
  Cu  Cu245  1  0.900171  0.500228  0.499829  1
  Cu  Cu246  1  0.900503  0.700455  -0.000171  1
  Cu  Cu247  1  0.900171  0.700163  0.499829  1
  Cu  Cu248  1  0.900338  0.900338  -0.000171  1
  Cu  Cu249  1  0.900165  0.900165  0.499829  1
  Cu  Cu250  1  0.999996  0.999996  0.250664  1
  Cu  Cu251  1  0.999996  0.999996  0.748993  1
  Cu  Cu252  1  0.999996  0.200394  0.250664  1
  Cu  Cu253  1  0.999996  0.200394  0.748993  1
  Cu  Cu254  1  0.000281  0.400055  0.249598  1
  Cu  Cu255  1  0.000281  0.400055  0.750059  1
  Cu  Cu256  1  0.000272  0.600195  0.249437  1
  Cu  Cu257  1  0.000272  0.600195  0.750220  1
  Cu  Cu258  1  0.000281  0.800335  0.249598  1
  Cu  Cu259  1  0.000281  0.800335  0.750059  1
  Cu  Cu260  1  0.200394  0.999996  0.250664  1
  Cu  Cu261  1  0.200394  0.999996  0.748993  1
  Cu  Cu262  1  0.200394  0.200394  0.250664  1
  Cu  Cu263  1  0.200394  0.200394  0.748993  1
  Cu  Cu264  1  0.200110  0.400055  0.249598  1
  Cu  Cu265  1  0.200110  0.400055  0.750059  1
  Cu  Cu266  1  0.200119  0.600195  0.249437  1
  Cu  Cu267  1  0.200119  0.600195  0.750220  1
  Cu  Cu268  1  0.200110  0.800335  0.249598  1
  Cu  Cu269  1  0.200110  0.800335  0.750059  1
  Cu  Cu270  1  0.400055  0.000281  0.249598  1
  Cu  Cu271  1  0.400055  0.000281  0.750059  1
  Cu  Cu272  1  0.400055  0.200110  0.249598  1
  Cu  Cu273  1  0.400055  0.200110  0.750059  1
  Cu  Cu274  1  0.400215  0.400215  0.249748  1
  Cu  Cu275  1  0.400215  0.400215  0.749909  1
  Cu  Cu276  1  0.400189  0.600195  0.249760  1
  Cu  Cu277  1  0.400189  0.600195  0.749897  1
  Cu  Cu278  1  0.400215  0.800175  0.249748  1
  Cu  Cu279  1  0.400215  0.800175  0.749909  1
  Cu  Cu280  1  0.600195  0.000272  0.249437  1
  Cu  Cu281  1  0.600195  0.000272  0.750220  1
  Cu  Cu282  1  0.600195  0.200119  0.249437  1
  Cu  Cu283  1  0.600195  0.200119  0.750220  1
  Cu  Cu284  1  0.600195  0.400189  0.249760  1
  Cu  Cu285  1  0.600195  0.400189  0.749897  1
  Cu  Cu286  1  0.600195  0.600195  0.249838  1
  Cu  Cu287  1  0.600195  0.600195  0.749819  1
  Cu  Cu288  1  0.600195  0.800201  0.249760  1
  Cu  Cu289  1  0.600195  0.800201  0.749897  1
  Cu  Cu290  1  0.800335  0.000281  0.249598  1
  Cu  Cu291  1  0.800335  0.000281  0.750059  1
  Cu  Cu292  1  0.800335  0.200110  0.249598  1
  Cu  Cu293  1  0.800335  0.200110  0.750059  1
  Cu  Cu294  1  0.800175  0.400215  0.249748  1
  Cu  Cu295  1  0.800175  0.400215  0.749909  1
  Cu  Cu296  1  0.800201  0.600195  0.249760  1
  Cu  Cu297  1  0.800201  0.600195  0.749897  1
  Cu  Cu298  1  0.800175  0.800175  0.249748  1
  Cu  Cu299  1  0.800175  0.800175  0.749909  1
