# generated using pymatgen
data_Al3Cu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.87419174
_cell_length_b   16.31878037
_cell_length_c   48.49522570
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   47.91631767
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Cu2
_chemical_formula_sum   'Al216 Cu144'
_cell_volume   12847.5462084
_cell_formula_units_Z   72
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
  Al  Al1  1  0.629031  0.741939  0.316667  1
  Al  Al2  1  0.295697  0.741939  0.316667  1
  Al  Al3  1  0.689711  0.287244  0.298148  1
  Al  Al4  1  0.962364  0.741939  0.316667  1
  Al  Al5  1  0.356378  0.287244  0.298148  1
  Al  Al6  1  0.750392  0.832550  0.279630  1
  Al  Al7  1  0.023044  0.287244  0.298148  1
  Al  Al8  1  0.417058  0.832550  0.279630  1
  Al  Al9  1  0.083725  0.832550  0.279630  1
  Al  Al10  1  0.794271  0.522569  0.334056  1
  Al  Al11  1  0.460938  0.522569  0.334056  1
  Al  Al12  1  0.854952  0.067874  0.315538  1
  Al  Al13  1  0.127605  0.522569  0.334056  1
  Al  Al14  1  0.521618  0.067874  0.315538  1
  Al  Al15  1  0.915632  0.613180  0.297019  1
  Al  Al16  1  0.188285  0.067874  0.315538  1
  Al  Al17  1  0.582299  0.613180  0.297019  1
  Al  Al18  1  0.248965  0.613180  0.297019  1
  Al  Al19  1  0.736443  0.416003  0.317795  1
  Al  Al20  1  0.403110  0.416003  0.317795  1
  Al  Al21  1  0.797124  0.961309  0.299277  1
  Al  Al22  1  0.069776  0.416003  0.317795  1
  Al  Al23  1  0.463790  0.961309  0.299277  1
  Al  Al24  1  0.857804  0.506614  0.280758  1
  Al  Al25  1  0.130457  0.961309  0.299277  1
  Al  Al26  1  0.524471  0.506614  0.280758  1
  Al  Al27  1  0.191137  0.506614  0.280758  1
  Al  Al28  1  0.446989  0.106021  0.372222  1
  Al  Al29  1  0.113656  0.106021  0.372222  1
  Al  Al30  1  0.507670  0.651327  0.353704  1
  Al  Al31  1  0.780323  0.106021  0.372222  1
  Al  Al32  1  0.174336  0.651327  0.353704  1
  Al  Al33  1  0.568350  0.196633  0.335185  1
  Al  Al34  1  0.841003  0.651327  0.353704  1
  Al  Al35  1  0.235017  0.196633  0.335185  1
  Al  Al36  1  0.901684  0.196633  0.335185  1
  Al  Al37  1  0.612230  0.886652  0.389612  1
  Al  Al38  1  0.278896  0.886652  0.389612  1
  Al  Al39  1  0.672910  0.431957  0.371093  1
  Al  Al40  1  0.945563  0.886652  0.389612  1
  Al  Al41  1  0.339577  0.431957  0.371093  1
  Al  Al42  1  0.733591  0.977263  0.352575  1
  Al  Al43  1  0.006244  0.431957  0.371093  1
  Al  Al44  1  0.400257  0.977263  0.352575  1
  Al  Al45  1  0.066924  0.977263  0.352575  1
  Al  Al46  1  0.554402  0.780086  0.373351  1
  Al  Al47  1  0.221068  0.780086  0.373351  1
  Al  Al48  1  0.615082  0.325391  0.354832  1
  Al  Al49  1  0.887735  0.780086  0.373351  1
  Al  Al50  1  0.281749  0.325391  0.354832  1
  Al  Al51  1  0.675763  0.870697  0.336314  1
  Al  Al52  1  0.948415  0.325391  0.354832  1
  Al  Al53  1  0.342429  0.870697  0.336314  1
  Al  Al54  1  0.009096  0.870697  0.336314  1
  Al  Al55  1  0.264948  0.470104  0.427778  1
  Al  Al56  1  0.931615  0.470104  0.427778  1
  Al  Al57  1  0.325628  0.015410  0.409259  1
  Al  Al58  1  0.598281  0.470104  0.427778  1
  Al  Al59  1  0.992295  0.015410  0.409259  1
  Al  Al60  1  0.386309  0.560716  0.390741  1
  Al  Al61  1  0.658962  0.015410  0.409259  1
  Al  Al62  1  0.052975  0.560716  0.390741  1
  Al  Al63  1  0.719642  0.560716  0.390741  1
  Al  Al64  1  0.430188  0.250734  0.445168  1
  Al  Al65  1  0.096855  0.250734  0.445168  1
  Al  Al66  1  0.490869  0.796040  0.426649  1
  Al  Al67  1  0.763522  0.250734  0.445168  1
  Al  Al68  1  0.157536  0.796040  0.426649  1
  Al  Al69  1  0.551549  0.341346  0.408130  1
  Al  Al70  1  0.824202  0.796040  0.426649  1
  Al  Al71  1  0.218216  0.341346  0.408130  1
  Al  Al72  1  0.884883  0.341346  0.408130  1
  Al  Al73  1  0.372360  0.144168  0.428907  1
  Al  Al74  1  0.039027  0.144168  0.428907  1
  Al  Al75  1  0.433041  0.689474  0.410388  1
  Al  Al76  1  0.705694  0.144168  0.428907  1
  Al  Al77  1  0.099707  0.689474  0.410388  1
  Al  Al78  1  0.493721  0.234780  0.391870  1
  Al  Al79  1  0.766374  0.689474  0.410388  1
  Al  Al80  1  0.160388  0.234780  0.391870  1
  Al  Al81  1  0.827055  0.234780  0.391870  1
  Al  Al82  1  0.082906  0.834187  0.483333  1
  Al  Al83  1  0.749573  0.834187  0.483333  1
  Al  Al84  1  0.143587  0.379493  0.464815  1
  Al  Al85  1  0.416240  0.834187  0.483333  1
  Al  Al86  1  0.810254  0.379493  0.464815  1
  Al  Al87  1  0.204267  0.924798  0.446296  1
  Al  Al88  1  0.476920  0.379493  0.464815  1
  Al  Al89  1  0.870934  0.924798  0.446296  1
  Al  Al90  1  0.537601  0.924798  0.446296  1
  Al  Al91  1  0.248147  0.614817  0.500723  1
  Al  Al92  1  0.914814  0.614817  0.500723  1
  Al  Al93  1  0.308827  0.160123  0.482205  1
  Al  Al94  1  0.581480  0.614817  0.500723  1
  Al  Al95  1  0.975494  0.160123  0.482205  1
  Al  Al96  1  0.369508  0.705429  0.463686  1
  Al  Al97  1  0.642161  0.160123  0.482205  1
  Al  Al98  1  0.036175  0.705429  0.463686  1
  Al  Al99  1  0.702841  0.705429  0.463686  1
  Al  Al100  1  0.190319  0.508251  0.484462  1
  Al  Al101  1  0.856986  0.508251  0.484462  1
  Al  Al102  1  0.250999  0.053557  0.465944  1
  Al  Al103  1  0.523652  0.508251  0.484462  1
  Al  Al104  1  0.917666  0.053557  0.465944  1
  Al  Al105  1  0.311680  0.598863  0.447425  1
  Al  Al106  1  0.584333  0.053557  0.465944  1
  Al  Al107  1  0.978346  0.598863  0.447425  1
  Al  Al108  1  0.645013  0.598863  0.447425  1
  Al  Al109  1  0.900865  0.198270  0.538889  1
  Al  Al110  1  0.567532  0.198270  0.538889  1
  Al  Al111  1  0.961546  0.743576  0.520370  1
  Al  Al112  1  0.234198  0.198270  0.538889  1
  Al  Al113  1  0.628212  0.743576  0.520370  1
  Al  Al114  1  0.022226  0.288881  0.501852  1
  Al  Al115  1  0.294879  0.743576  0.520370  1
  Al  Al116  1  0.688893  0.288881  0.501852  1
  Al  Al117  1  0.355559  0.288881  0.501852  1
  Al  Al118  1  0.066106  0.978900  0.556279  1
  Al  Al119  1  0.732772  0.978900  0.556279  1
  Al  Al120  1  0.126786  0.524206  0.537760  1
  Al  Al121  1  0.399439  0.978900  0.556279  1
  Al  Al122  1  0.793453  0.524206  0.537760  1
  Al  Al123  1  0.187467  0.069511  0.519242  1
  Al  Al124  1  0.460119  0.524206  0.537760  1
  Al  Al125  1  0.854133  0.069511  0.519242  1
  Al  Al126  1  0.520800  0.069511  0.519242  1
  Al  Al127  1  0.008277  0.872334  0.540018  1
  Al  Al128  1  0.674944  0.872334  0.540018  1
  Al  Al129  1  0.068958  0.417640  0.521499  1
  Al  Al130  1  0.341611  0.872334  0.540018  1
  Al  Al131  1  0.735625  0.417640  0.521499  1
  Al  Al132  1  0.129638  0.962945  0.502981  1
  Al  Al133  1  0.402291  0.417640  0.521499  1
  Al  Al134  1  0.796305  0.962945  0.502981  1
  Al  Al135  1  0.462972  0.962945  0.502981  1
  Al  Al136  1  0.718824  0.562353  0.594444  1
  Al  Al137  1  0.385490  0.562353  0.594444  1
  Al  Al138  1  0.779504  0.107658  0.575926  1
  Al  Al139  1  0.052157  0.562353  0.594444  1
  Al  Al140  1  0.446171  0.107658  0.575926  1
  Al  Al141  1  0.840185  0.652964  0.557407  1
  Al  Al142  1  0.112837  0.107658  0.575926  1
  Al  Al143  1  0.506851  0.652964  0.557407  1
  Al  Al144  1  0.173518  0.652964  0.557407  1
  Al  Al145  1  0.884064  0.342983  0.611834  1
  Al  Al146  1  0.550731  0.342983  0.611834  1
  Al  Al147  1  0.944745  0.888288  0.593316  1
  Al  Al148  1  0.217398  0.342983  0.611834  1
  Al  Al149  1  0.611411  0.888288  0.593316  1
  Al  Al150  1  0.005425  0.433594  0.574797  1
  Al  Al151  1  0.278078  0.888288  0.593316  1
  Al  Al152  1  0.672092  0.433594  0.574797  1
  Al  Al153  1  0.338758  0.433594  0.574797  1
  Al  Al154  1  0.826236  0.236417  0.595573  1
  Al  Al155  1  0.492903  0.236417  0.595573  1
  Al  Al156  1  0.886917  0.781723  0.577055  1
  Al  Al157  1  0.159569  0.236417  0.595573  1
  Al  Al158  1  0.553583  0.781723  0.577055  1
  Al  Al159  1  0.947597  0.327028  0.558536  1
  Al  Al160  1  0.220250  0.781723  0.577055  1
  Al  Al161  1  0.614264  0.327028  0.558536  1
  Al  Al162  1  0.280930  0.327028  0.558536  1
  Al  Al163  1  0.536782  0.926435  0.650000  1
  Al  Al164  1  0.203449  0.926435  0.650000  1
  Al  Al165  1  0.597463  0.471741  0.631481  1
  Al  Al166  1  0.870116  0.926435  0.650000  1
  Al  Al167  1  0.264129  0.471741  0.631481  1
  Al  Al168  1  0.658143  0.017047  0.612963  1
  Al  Al169  1  0.930796  0.471741  0.631481  1
  Al  Al170  1  0.324810  0.017047  0.612963  1
  Al  Al171  1  0.991477  0.017047  0.612963  1
  Al  Al172  1  0.702023  0.707066  0.667390  1
  Al  Al173  1  0.368689  0.707066  0.667390  1
  Al  Al174  1  0.762703  0.252371  0.648871  1
  Al  Al175  1  0.035356  0.707066  0.667390  1
  Al  Al176  1  0.429370  0.252371  0.648871  1
  Al  Al177  1  0.823384  0.797677  0.630353  1
  Al  Al178  1  0.096037  0.252371  0.648871  1
  Al  Al179  1  0.490050  0.797677  0.630353  1
  Al  Al180  1  0.156717  0.797677  0.630353  1
  Al  Al181  1  0.644195  0.600500  0.651129  1
  Al  Al182  1  0.310861  0.600500  0.651129  1
  Al  Al183  1  0.704875  0.145805  0.632610  1
  Al  Al184  1  0.977528  0.600500  0.651129  1
  Al  Al185  1  0.371542  0.145805  0.632610  1
  Al  Al186  1  0.765556  0.691111  0.614092  1
  Al  Al187  1  0.038208  0.145805  0.632610  1
  Al  Al188  1  0.432222  0.691111  0.614092  1
  Al  Al189  1  0.098889  0.691111  0.614092  1
  Al  Al190  1  0.354741  0.290518  0.705556  1
  Al  Al191  1  0.021408  0.290518  0.705556  1
  Al  Al192  1  0.415421  0.835824  0.687037  1
  Al  Al193  1  0.688074  0.290518  0.705556  1
  Al  Al194  1  0.082088  0.835824  0.687037  1
  Al  Al195  1  0.476102  0.381130  0.668519  1
  Al  Al196  1  0.748755  0.835824  0.687037  1
  Al  Al197  1  0.142768  0.381130  0.668519  1
  Al  Al198  1  0.809435  0.381130  0.668519  1
  Al  Al199  1  0.519981  0.071148  0.722945  1
  Al  Al200  1  0.186648  0.071148  0.722945  1
  Al  Al201  1  0.580662  0.616454  0.704427  1
  Al  Al202  1  0.853315  0.071148  0.722945  1
  Al  Al203  1  0.247329  0.616454  0.704427  1
  Al  Al204  1  0.641342  0.161760  0.685908  1
  Al  Al205  1  0.913995  0.616454  0.704427  1
  Al  Al206  1  0.308009  0.161760  0.685908  1
  Al  Al207  1  0.974676  0.161760  0.685908  1
  Al  Al208  1  0.462153  0.964582  0.706684  1
  Al  Al209  1  0.128820  0.964582  0.706684  1
  Al  Al210  1  0.522834  0.509888  0.688166  1
  Al  Al211  1  0.795487  0.964582  0.706684  1
  Al  Al212  1  0.189500  0.509888  0.688166  1
  Al  Al213  1  0.583514  0.055194  0.669647  1
  Al  Al214  1  0.856167  0.509888  0.688166  1
  Al  Al215  1  0.250181  0.055194  0.669647  1
  Al  Al216  1  0.916848  0.055194  0.669647  1
  Cu  Cu217  1  0.884805  0.341500  0.306427  1
  Cu  Cu218  1  0.551472  0.341500  0.306427  1
  Cu  Cu219  1  0.945486  0.886806  0.287909  1
  Cu  Cu220  1  0.218139  0.341500  0.306427  1
  Cu  Cu221  1  0.612153  0.886806  0.287909  1
  Cu  Cu222  1  0.824125  0.796194  0.324946  1
  Cu  Cu223  1  0.278819  0.886806  0.287909  1
  Cu  Cu224  1  0.490792  0.796194  0.324946  1
  Cu  Cu225  1  0.157458  0.796194  0.324946  1
  Cu  Cu226  1  0.827950  0.232988  0.289869  1
  Cu  Cu227  1  0.494617  0.232988  0.289869  1
  Cu  Cu228  1  0.706589  0.142377  0.326906  1
  Cu  Cu229  1  0.161284  0.232988  0.289869  1
  Cu  Cu230  1  0.373256  0.142377  0.326906  1
  Cu  Cu231  1  0.767270  0.687683  0.308388  1
  Cu  Cu232  1  0.039923  0.142377  0.326906  1
  Cu  Cu233  1  0.433936  0.687683  0.308388  1
  Cu  Cu234  1  0.100603  0.687683  0.308388  1
  Cu  Cu235  1  0.702764  0.705583  0.361983  1
  Cu  Cu236  1  0.369431  0.705583  0.361983  1
  Cu  Cu237  1  0.763445  0.250889  0.343464  1
  Cu  Cu238  1  0.036097  0.705583  0.361983  1
  Cu  Cu239  1  0.430111  0.250889  0.343464  1
  Cu  Cu240  1  0.642084  0.160277  0.380501  1
  Cu  Cu241  1  0.096778  0.250889  0.343464  1
  Cu  Cu242  1  0.308750  0.160277  0.380501  1
  Cu  Cu243  1  0.975417  0.160277  0.380501  1
  Cu  Cu244  1  0.645909  0.597071  0.345425  1
  Cu  Cu245  1  0.312575  0.597071  0.345425  1
  Cu  Cu246  1  0.524548  0.506460  0.382462  1
  Cu  Cu247  1  0.979242  0.597071  0.345425  1
  Cu  Cu248  1  0.191215  0.506460  0.382462  1
  Cu  Cu249  1  0.585228  0.051766  0.363943  1
  Cu  Cu250  1  0.857881  0.506460  0.382462  1
  Cu  Cu251  1  0.251895  0.051766  0.363943  1
  Cu  Cu252  1  0.918562  0.051766  0.363943  1
  Cu  Cu253  1  0.520723  0.069666  0.417538  1
  Cu  Cu254  1  0.187389  0.069666  0.417538  1
  Cu  Cu255  1  0.581403  0.614972  0.399020  1
  Cu  Cu256  1  0.854056  0.069666  0.417538  1
  Cu  Cu257  1  0.248070  0.614972  0.399020  1
  Cu  Cu258  1  0.460042  0.524360  0.436057  1
  Cu  Cu259  1  0.914736  0.614972  0.399020  1
  Cu  Cu260  1  0.126709  0.524360  0.436057  1
  Cu  Cu261  1  0.793376  0.524360  0.436057  1
  Cu  Cu262  1  0.463867  0.961154  0.400980  1
  Cu  Cu263  1  0.130534  0.961154  0.400980  1
  Cu  Cu264  1  0.342506  0.870543  0.438017  1
  Cu  Cu265  1  0.797201  0.961154  0.400980  1
  Cu  Cu266  1  0.009173  0.870543  0.438017  1
  Cu  Cu267  1  0.403187  0.415848  0.419499  1
  Cu  Cu268  1  0.675840  0.870543  0.438017  1
  Cu  Cu269  1  0.069854  0.415848  0.419499  1
  Cu  Cu270  1  0.736520  0.415848  0.419499  1
  Cu  Cu271  1  0.338681  0.433749  0.473094  1
  Cu  Cu272  1  0.005348  0.433749  0.473094  1
  Cu  Cu273  1  0.399362  0.979054  0.454575  1
  Cu  Cu274  1  0.672015  0.433749  0.473094  1
  Cu  Cu275  1  0.066028  0.979054  0.454575  1
  Cu  Cu276  1  0.278001  0.888443  0.491612  1
  Cu  Cu277  1  0.732695  0.979054  0.454575  1
  Cu  Cu278  1  0.944667  0.888443  0.491612  1
  Cu  Cu279  1  0.611334  0.888443  0.491612  1
  Cu  Cu280  1  0.281826  0.325237  0.456536  1
  Cu  Cu281  1  0.948493  0.325237  0.456536  1
  Cu  Cu282  1  0.160465  0.234625  0.493573  1
  Cu  Cu283  1  0.615159  0.325237  0.456536  1
  Cu  Cu284  1  0.827132  0.234625  0.493573  1
  Cu  Cu285  1  0.221146  0.779931  0.475054  1
  Cu  Cu286  1  0.493798  0.234625  0.493573  1
  Cu  Cu287  1  0.887812  0.779931  0.475054  1
  Cu  Cu288  1  0.554479  0.779931  0.475054  1
  Cu  Cu289  1  0.156640  0.797831  0.528649  1
  Cu  Cu290  1  0.823307  0.797831  0.528649  1
  Cu  Cu291  1  0.217320  0.343137  0.510131  1
  Cu  Cu292  1  0.489973  0.797831  0.528649  1
  Cu  Cu293  1  0.883987  0.343137  0.510131  1
  Cu  Cu294  1  0.095959  0.252526  0.547168  1
  Cu  Cu295  1  0.550654  0.343137  0.510131  1
  Cu  Cu296  1  0.762626  0.252526  0.547168  1
  Cu  Cu297  1  0.429293  0.252526  0.547168  1
  Cu  Cu298  1  0.099785  0.689320  0.512091  1
  Cu  Cu299  1  0.766451  0.689320  0.512091  1
  Cu  Cu300  1  0.978424  0.598708  0.549128  1
  Cu  Cu301  1  0.433118  0.689320  0.512091  1
  Cu  Cu302  1  0.645090  0.598708  0.549128  1
  Cu  Cu303  1  0.039104  0.144014  0.530610  1
  Cu  Cu304  1  0.311757  0.598708  0.549128  1
  Cu  Cu305  1  0.705771  0.144014  0.530610  1
  Cu  Cu306  1  0.372437  0.144014  0.530610  1
  Cu  Cu307  1  0.974598  0.161914  0.584205  1
  Cu  Cu308  1  0.641265  0.161914  0.584205  1
  Cu  Cu309  1  0.035279  0.707220  0.565686  1
  Cu  Cu310  1  0.307932  0.161914  0.584205  1
  Cu  Cu311  1  0.701946  0.707220  0.565686  1
  Cu  Cu312  1  0.913918  0.616608  0.602723  1
  Cu  Cu313  1  0.368612  0.707220  0.565686  1
  Cu  Cu314  1  0.580585  0.616608  0.602723  1
  Cu  Cu315  1  0.247251  0.616608  0.602723  1
  Cu  Cu316  1  0.917743  0.053403  0.567647  1
  Cu  Cu317  1  0.584410  0.053403  0.567647  1
  Cu  Cu318  1  0.796382  0.962791  0.604684  1
  Cu  Cu319  1  0.251077  0.053403  0.567647  1
  Cu  Cu320  1  0.463049  0.962791  0.604684  1
  Cu  Cu321  1  0.857063  0.508097  0.586166  1
  Cu  Cu322  1  0.129716  0.962791  0.604684  1
  Cu  Cu323  1  0.523729  0.508097  0.586166  1
  Cu  Cu324  1  0.190396  0.508097  0.586166  1
  Cu  Cu325  1  0.792557  0.525997  0.639760  1
  Cu  Cu326  1  0.459224  0.525997  0.639760  1
  Cu  Cu327  1  0.853238  0.071303  0.621242  1
  Cu  Cu328  1  0.125890  0.525997  0.639760  1
  Cu  Cu329  1  0.519904  0.071303  0.621242  1
  Cu  Cu330  1  0.731877  0.980691  0.658279  1
  Cu  Cu331  1  0.186571  0.071303  0.621242  1
  Cu  Cu332  1  0.398543  0.980691  0.658279  1
  Cu  Cu333  1  0.065210  0.980691  0.658279  1
  Cu  Cu334  1  0.735702  0.417485  0.623203  1
  Cu  Cu335  1  0.402368  0.417485  0.623203  1
  Cu  Cu336  1  0.614341  0.326874  0.660240  1
  Cu  Cu337  1  0.069035  0.417485  0.623203  1
  Cu  Cu338  1  0.281008  0.326874  0.660240  1
  Cu  Cu339  1  0.675021  0.872180  0.641721  1
  Cu  Cu340  1  0.947674  0.326874  0.660240  1
  Cu  Cu341  1  0.341688  0.872180  0.641721  1
  Cu  Cu342  1  0.008355  0.872180  0.641721  1
  Cu  Cu343  1  0.610516  0.890080  0.695316  1
  Cu  Cu344  1  0.277182  0.890080  0.695316  1
  Cu  Cu345  1  0.671196  0.435386  0.676797  1
  Cu  Cu346  1  0.943849  0.890080  0.695316  1
  Cu  Cu347  1  0.337863  0.435386  0.676797  1
  Cu  Cu348  1  0.549835  0.344774  0.713834  1
  Cu  Cu349  1  0.004529  0.435386  0.676797  1
  Cu  Cu350  1  0.216502  0.344774  0.713834  1
  Cu  Cu351  1  0.883169  0.344774  0.713834  1
  Cu  Cu352  1  0.553660  0.781568  0.678758  1
  Cu  Cu353  1  0.220327  0.781568  0.678758  1
  Cu  Cu354  1  0.432299  0.690957  0.715795  1
  Cu  Cu355  1  0.886994  0.781568  0.678758  1
  Cu  Cu356  1  0.098966  0.690957  0.715795  1
  Cu  Cu357  1  0.492980  0.236262  0.697277  1
  Cu  Cu358  1  0.765633  0.690957  0.715795  1
  Cu  Cu359  1  0.159647  0.236262  0.697277  1
  Cu  Cu360  1  0.826313  0.236262  0.697277  1
