# generated using pymatgen
data_AlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   24.47807292
_cell_length_b   14.37017355
_cell_length_c   49.08688638
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.20783697
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu
_chemical_formula_sum   'Al200 Cu200'
_cell_volume   14107.8841849
_cell_formula_units_Z   200
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  0.780440  0.679102  0.334900  1
  Al  Al2  1  0.241751  0.428167  0.300734  1
  Al  Al3  1  0.280440  0.179102  0.334900  1
  Al  Al4  1  0.741751  0.928167  0.300734  1
  Al  Al5  1  0.736988  0.452596  0.329191  1
  Al  Al6  1  0.224785  0.490977  0.376509  1
  Al  Al7  1  0.236988  0.952596  0.329191  1
  Al  Al8  1  0.724785  0.990977  0.376509  1
  Al  Al9  1  0.778826  0.736354  0.389051  1
  Al  Al10  1  0.355358  0.740719  0.310105  1
  Al  Al11  1  0.278826  0.236354  0.389051  1
  Al  Al12  1  0.855358  0.240719  0.310105  1
  Al  Al13  1  0.543236  0.456145  0.359834  1
  Al  Al14  1  0.079905  0.379371  0.328774  1
  Al  Al15  1  0.043236  0.956145  0.359834  1
  Al  Al16  1  0.579905  0.879371  0.328774  1
  Al  Al17  1  0.019091  0.628240  0.303793  1
  Al  Al18  1  0.447790  0.723035  0.339325  1
  Al  Al19  1  0.519091  0.128240  0.303793  1
  Al  Al20  1  0.947790  0.223035  0.339325  1
  Al  Al21  1  0.992128  0.424010  0.310239  1
  Al  Al22  1  0.530677  0.640073  0.343604  1
  Al  Al23  1  0.492128  0.924010  0.310239  1
  Al  Al24  1  0.030677  0.140073  0.343604  1
  Al  Al25  1  0.918337  0.387660  0.353991  1
  Al  Al26  1  0.425860  0.366582  0.327272  1
  Al  Al27  1  0.418337  0.887660  0.353991  1
  Al  Al28  1  0.925860  0.866582  0.327272  1
  Al  Al29  1  0.595765  0.740008  0.295135  1
  Al  Al30  1  0.100264  0.778565  0.339273  1
  Al  Al31  1  0.095765  0.240008  0.295135  1
  Al  Al32  1  0.600264  0.278565  0.339273  1
  Al  Al33  1  0.826761  0.436174  0.353514  1
  Al  Al34  1  0.329943  0.365922  0.299534  1
  Al  Al35  1  0.326761  0.936174  0.353514  1
  Al  Al36  1  0.829943  0.865922  0.299534  1
  Al  Al37  1  0.691372  0.701827  0.304289  1
  Al  Al38  1  0.189920  0.740575  0.352619  1
  Al  Al39  1  0.191372  0.201827  0.304289  1
  Al  Al40  1  0.689920  0.240575  0.352619  1
  Al  Al41  1  0.730686  0.549605  0.422386  1
  Al  Al42  1  0.287014  0.708601  0.360141  1
  Al  Al43  1  0.230686  0.049605  0.422386  1
  Al  Al44  1  0.787014  0.208601  0.360141  1
  Al  Al45  1  0.665885  0.460407  0.373174  1
  Al  Al46  1  0.162193  0.463164  0.424332  1
  Al  Al47  1  0.165885  0.960407  0.373174  1
  Al  Al48  1  0.662193  0.963164  0.424332  1
  Al  Al49  1  0.847751  0.882991  0.432927  1
  Al  Al50  1  0.345973  0.863231  0.400585  1
  Al  Al51  1  0.347751  0.382991  0.432927  1
  Al  Al52  1  0.845973  0.363231  0.400585  1
  Al  Al53  1  0.575816  0.546186  0.448076  1
  Al  Al54  1  0.090028  0.539753  0.410582  1
  Al  Al55  1  0.075816  0.046186  0.448076  1
  Al  Al56  1  0.590028  0.039753  0.410582  1
  Al  Al57  1  0.030050  0.770736  0.384146  1
  Al  Al58  1  0.516665  0.796068  0.425802  1
  Al  Al59  1  0.530050  0.270736  0.384146  1
  Al  Al60  1  0.016665  0.296068  0.425802  1
  Al  Al61  1  0.980181  0.526342  0.399894  1
  Al  Al62  1  0.475565  0.565185  0.434138  1
  Al  Al63  1  0.480181  0.026342  0.399894  1
  Al  Al64  1  0.975565  0.065185  0.434138  1
  Al  Al65  1  0.916732  0.498057  0.449977  1
  Al  Al66  1  0.418249  0.423010  0.383981  1
  Al  Al67  1  0.416732  0.998057  0.449977  1
  Al  Al68  1  0.918249  0.923010  0.383981  1
  Al  Al69  1  0.590061  0.816738  0.381899  1
  Al  Al70  1  0.099473  0.884807  0.431742  1
  Al  Al71  1  0.090061  0.316738  0.381899  1
  Al  Al72  1  0.599473  0.384807  0.431742  1
  Al  Al73  1  0.817833  0.499351  0.429220  1
  Al  Al74  1  0.329694  0.482223  0.388162  1
  Al  Al75  1  0.317833  0.999351  0.429220  1
  Al  Al76  1  0.829694  0.982223  0.388162  1
  Al  Al77  1  0.691230  0.790262  0.392464  1
  Al  Al78  1  0.184677  0.809795  0.437220  1
  Al  Al79  1  0.191230  0.290262  0.392464  1
  Al  Al80  1  0.684677  0.309795  0.437220  1
  Al  Al81  1  0.763707  0.828828  0.484574  1
  Al  Al82  1  0.292287  0.797017  0.450177  1
  Al  Al83  1  0.263707  0.328828  0.484574  1
  Al  Al84  1  0.792287  0.297017  0.450177  1
  Al  Al85  1  0.683552  0.561852  0.475301  1
  Al  Al86  1  0.190812  0.590915  0.504373  1
  Al  Al87  1  0.183552  0.061852  0.475301  1
  Al  Al88  1  0.690812  0.090915  0.504373  1
  Al  Al89  1  0.843942  0.979309  0.527329  1
  Al  Al90  1  0.347695  0.979718  0.501182  1
  Al  Al91  1  0.343942  0.479309  0.527329  1
  Al  Al92  1  0.847695  0.479718  0.501182  1
  Al  Al93  1  0.572046  0.630032  0.535719  1
  Al  Al94  1  0.080209  0.612116  0.486866  1
  Al  Al95  1  0.072046  0.130032  0.535719  1
  Al  Al96  1  0.580209  0.112116  0.486866  1
  Al  Al97  1  0.945656  0.857520  0.456051  1
  Al  Al98  1  0.444149  0.909911  0.494037  1
  Al  Al99  1  0.445656  0.357520  0.456051  1
  Al  Al100  1  0.944149  0.409911  0.494037  1
  Al  Al101  1  0.987714  0.662472  0.486692  1
  Al  Al102  1  0.480179  0.676060  0.519895  1
  Al  Al103  1  0.487714  0.162472  0.486692  1
  Al  Al104  1  0.980179  0.176060  0.519895  1
  Al  Al105  1  0.952088  0.662237  0.543790  1
  Al  Al106  1  0.391281  0.535884  0.476139  1
  Al  Al107  1  0.452088  0.162237  0.543790  1
  Al  Al108  1  0.891281  0.035884  0.476139  1
  Al  Al109  1  0.584525  0.920004  0.473642  1
  Al  Al110  1  0.058224  0.914066  0.491325  1
  Al  Al111  1  0.084525  0.420004  0.473642  1
  Al  Al112  1  0.558224  0.414066  0.491325  1
  Al  Al113  1  0.805478  0.629559  0.509744  1
  Al  Al114  1  0.296243  0.608172  0.466110  1
  Al  Al115  1  0.305478  0.129559  0.509744  1
  Al  Al116  1  0.796243  0.108172  0.466110  1
  Al  Al117  1  0.680772  0.888652  0.472471  1
  Al  Al118  1  0.203412  0.916887  0.522853  1
  Al  Al119  1  0.180772  0.388652  0.472471  1
  Al  Al120  1  0.703412  0.416887  0.522853  1
  Al  Al121  1  0.724985  0.736640  0.579196  1
  Al  Al122  1  0.252440  0.787339  0.539067  1
  Al  Al123  1  0.224985  0.236640  0.579196  1
  Al  Al124  1  0.752440  0.287339  0.539067  1
  Al  Al125  1  0.664835  0.583328  0.528122  1
  Al  Al126  1  0.164235  0.652668  0.581254  1
  Al  Al127  1  0.164835  0.083328  0.528122  1
  Al  Al128  1  0.664235  0.152668  0.581254  1
  Al  Al129  1  0.768819  0.961433  0.571006  1
  Al  Al130  1  0.325866  0.012380  0.555481  1
  Al  Al131  1  0.268819  0.461433  0.571006  1
  Al  Al132  1  0.825866  0.512380  0.555481  1
  Al  Al133  1  0.476341  0.776556  0.609220  1
  Al  Al134  1  0.063275  0.700473  0.576565  1
  Al  Al135  1  0.976341  0.276556  0.609220  1
  Al  Al136  1  0.563275  0.200473  0.576565  1
  Al  Al137  1  0.940558  0.958418  0.539527  1
  Al  Al138  1  0.435592  0.018254  0.583920  1
  Al  Al139  1  0.440558  0.458418  0.539527  1
  Al  Al140  1  0.935592  0.518254  0.583920  1
  Al  Al141  1  0.021610  0.895305  0.546331  1
  Al  Al142  1  0.528055  0.974268  0.578446  1
  Al  Al143  1  0.521610  0.395305  0.546331  1
  Al  Al144  1  0.028055  0.474268  0.578446  1
  Al  Al145  1  0.914377  0.676840  0.597631  1
  Al  Al146  1  0.405286  0.631708  0.567695  1
  Al  Al147  1  0.414377  0.176840  0.597631  1
  Al  Al148  1  0.905286  0.131708  0.567695  1
  Al  Al149  1  0.565538  0.956128  0.525061  1
  Al  Al150  1  0.093959  0.061320  0.583856  1
  Al  Al151  1  0.065538  0.456128  0.525061  1
  Al  Al152  1  0.593959  0.561320  0.583856  1
  Al  Al153  1  0.822524  0.720330  0.598196  1
  Al  Al154  1  0.307627  0.672195  0.547579  1
  Al  Al155  1  0.322524  0.220330  0.598196  1
  Al  Al156  1  0.807627  0.172195  0.547579  1
  Al  Al157  1  0.671701  0.990449  0.554841  1
  Al  Al158  1  0.190265  0.035635  0.603914  1
  Al  Al159  1  0.171701  0.490449  0.554841  1
  Al  Al160  1  0.690265  0.535635  0.603914  1
  Al  Al161  1  0.732219  0.840085  0.668047  1
  Al  Al162  1  0.227071  0.805014  0.626372  1
  Al  Al163  1  0.232219  0.340085  0.668047  1
  Al  Al164  1  0.727071  0.305014  0.626372  1
  Al  Al165  1  0.657986  0.710917  0.625360  1
  Al  Al166  1  0.158245  0.755716  0.671132  1
  Al  Al167  1  0.157986  0.210917  0.625360  1
  Al  Al168  1  0.658245  0.255716  0.671132  1
  Al  Al169  1  0.771824  0.060969  0.663682  1
  Al  Al170  1  0.340730  0.147709  0.649230  1
  Al  Al171  1  0.271824  0.560969  0.663682  1
  Al  Al172  1  0.840730  0.647709  0.649230  1
  Al  Al173  1  0.496522  0.689973  0.660281  1
  Al  Al174  1  0.069901  0.804562  0.666866  1
  Al  Al175  1  0.996522  0.189973  0.660281  1
  Al  Al176  1  0.569901  0.304562  0.666866  1
  Al  Al177  1  0.840556  0.102350  0.616740  1
  Al  Al178  1  0.432617  0.122816  0.672283  1
  Al  Al179  1  0.340556  0.602350  0.616740  1
  Al  Al180  1  0.932617  0.622816  0.672283  1
  Al  Al181  1  0.022047  0.037714  0.630284  1
  Al  Al182  1  0.522739  0.063665  0.671704  1
  Al  Al183  1  0.522047  0.537714  0.630284  1
  Al  Al184  1  0.022739  0.563665  0.671704  1
  Al  Al185  1  0.971348  0.817439  0.643313  1
  Al  Al186  1  0.412382  0.749898  0.659654  1
  Al  Al187  1  0.471348  0.317439  0.643313  1
  Al  Al188  1  0.912382  0.249898  0.659654  1
  Al  Al189  1  0.588944  0.111387  0.624919  1
  Al  Al190  1  0.095311  0.167693  0.673734  1
  Al  Al191  1  0.088944  0.611387  0.624919  1
  Al  Al192  1  0.595311  0.667693  0.673734  1
  Al  Al193  1  0.825826  0.801039  0.680728  1
  Al  Al194  1  0.325219  0.771508  0.632399  1
  Al  Al195  1  0.325826  0.301039  0.680728  1
  Al  Al196  1  0.825219  0.271508  0.632399  1
  Al  Al197  1  0.687953  0.089325  0.637453  1
  Al  Al198  1  0.181205  0.106868  0.682208  1
  Al  Al199  1  0.187953  0.589325  0.637453  1
  Al  Al200  1  0.681205  0.606868  0.682208  1
  Cu  Cu201  1  1.003012  0.793047  0.325295  1
  Cu  Cu202  1  0.491385  0.750029  0.290191  1
  Cu  Cu203  1  0.503012  0.293047  0.325295  1
  Cu  Cu204  1  0.991385  0.250029  0.290191  1
  Cu  Cu205  1  0.924343  0.756667  0.368448  1
  Cu  Cu206  1  0.372479  0.580755  0.297776  1
  Cu  Cu207  1  0.424343  0.256667  0.368448  1
  Cu  Cu208  1  0.872479  0.080755  0.297776  1
  Cu  Cu209  1  0.639610  0.485493  0.323217  1
  Cu  Cu210  1  0.139766  0.534280  0.365735  1
  Cu  Cu211  1  0.139610  0.985493  0.323217  1
  Cu  Cu212  1  0.639766  0.034280  0.365735  1
  Cu  Cu213  1  0.660047  0.644393  0.354290  1
  Cu  Cu214  1  0.210995  0.554888  0.324481  1
  Cu  Cu215  1  0.160047  0.144393  0.354290  1
  Cu  Cu216  1  0.710995  0.054888  0.324481  1
  Cu  Cu217  1  0.873571  0.628830  0.328032  1
  Cu  Cu218  1  0.316955  0.566269  0.342024  1
  Cu  Cu219  1  0.373571  0.128830  0.328032  1
  Cu  Cu220  1  0.816955  0.066269  0.342024  1
  Cu  Cu221  1  0.771147  0.850048  0.346092  1
  Cu  Cu222  1  0.264617  0.779973  0.312637  1
  Cu  Cu223  1  0.271147  0.350048  0.346092  1
  Cu  Cu224  1  0.764617  0.279973  0.312637  1
  Cu  Cu225  1  0.660890  0.819741  0.341117  1
  Cu  Cu226  1  0.123054  0.596614  0.314845  1
  Cu  Cu227  1  0.160890  0.319741  0.341117  1
  Cu  Cu228  1  0.623054  0.096614  0.314845  1
  Cu  Cu229  1  0.891151  0.462138  0.309636  1
  Cu  Cu230  1  0.395928  0.506554  0.341987  1
  Cu  Cu231  1  0.391151  0.962138  0.309636  1
  Cu  Cu232  1  0.895928  0.006554  0.341987  1
  Cu  Cu233  1  0.960634  0.604730  0.349292  1
  Cu  Cu234  1  0.464820  0.553412  0.298342  1
  Cu  Cu235  1  0.460634  0.104730  0.349292  1
  Cu  Cu236  1  0.964820  0.053412  0.298342  1
  Cu  Cu237  1  0.558225  0.529502  0.310508  1
  Cu  Cu238  1  0.050461  0.566612  0.354892  1
  Cu  Cu239  1  0.058225  0.029502  0.310508  1
  Cu  Cu240  1  0.550461  0.066612  0.354892  1
  Cu  Cu241  1  1.001794  0.899285  0.409450  1
  Cu  Cu242  1  0.508865  0.875848  0.377681  1
  Cu  Cu243  1  0.501794  0.399285  0.409450  1
  Cu  Cu244  1  0.008865  0.375848  0.377681  1
  Cu  Cu245  1  0.871146  0.720524  0.415831  1
  Cu  Cu246  1  0.385885  0.712486  0.385466  1
  Cu  Cu247  1  0.371146  0.220524  0.415831  1
  Cu  Cu248  1  0.885885  0.212486  0.385466  1
  Cu  Cu249  1  0.636969  0.570454  0.403028  1
  Cu  Cu250  1  0.169767  0.621902  0.453235  1
  Cu  Cu251  1  0.136969  0.070454  0.403028  1
  Cu  Cu252  1  0.669767  0.121902  0.453235  1
  Cu  Cu253  1  0.709635  0.719663  0.439137  1
  Cu  Cu254  1  0.214068  0.695954  0.403056  1
  Cu  Cu255  1  0.209635  0.219663  0.439137  1
  Cu  Cu256  1  0.714068  0.195954  0.403056  1
  Cu  Cu257  1  0.804450  0.588323  0.374586  1
  Cu  Cu258  1  0.287829  0.635142  0.415463  1
  Cu  Cu259  1  0.304450  0.088323  0.374586  1
  Cu  Cu260  1  0.787829  0.135142  0.415463  1
  Cu  Cu261  1  0.761107  0.935523  0.432944  1
  Cu  Cu262  1  0.238226  0.889533  0.390085  1
  Cu  Cu263  1  0.261107  0.435523  0.432944  1
  Cu  Cu264  1  0.738226  0.389533  0.390085  1
  Cu  Cu265  1  0.612367  0.747333  0.432655  1
  Cu  Cu266  1  0.114617  0.728292  0.392357  1
  Cu  Cu267  1  0.112367  0.247333  0.432655  1
  Cu  Cu268  1  0.614617  0.228292  0.392357  1
  Cu  Cu269  1  0.902024  0.588167  0.392226  1
  Cu  Cu270  1  0.385823  0.614990  0.429733  1
  Cu  Cu271  1  0.402024  0.088167  0.392226  1
  Cu  Cu272  1  0.885823  0.114990  0.429733  1
  Cu  Cu273  1  0.969633  0.712143  0.432773  1
  Cu  Cu274  1  0.460347  0.642471  0.386020  1
  Cu  Cu275  1  0.469633  0.212143  0.432773  1
  Cu  Cu276  1  0.960347  0.142471  0.386020  1
  Cu  Cu277  1  0.553652  0.609058  0.393125  1
  Cu  Cu278  1  0.054613  0.668226  0.439820  1
  Cu  Cu279  1  0.053652  0.109058  0.393125  1
  Cu  Cu280  1  0.554613  0.168226  0.439820  1
  Cu  Cu281  1  0.997352  0.018982  0.492005  1
  Cu  Cu282  1  0.509582  0.961714  0.448866  1
  Cu  Cu283  1  0.497352  0.518982  0.492005  1
  Cu  Cu284  1  0.009582  0.461714  0.448866  1
  Cu  Cu285  1  0.872427  0.850866  0.495510  1
  Cu  Cu286  1  0.399652  0.799479  0.434906  1
  Cu  Cu287  1  0.372427  0.350866  0.495510  1
  Cu  Cu288  1  0.899652  0.299479  0.434906  1
  Cu  Cu289  1  0.631928  0.680403  0.488673  1
  Cu  Cu290  1  0.128945  0.685452  0.534493  1
  Cu  Cu291  1  0.131928  0.180403  0.488673  1
  Cu  Cu292  1  0.628945  0.185452  0.534493  1
  Cu  Cu293  1  0.701360  0.800287  0.531831  1
  Cu  Cu294  1  0.212713  0.783946  0.489206  1
  Cu  Cu295  1  0.201360  0.300287  0.531831  1
  Cu  Cu296  1  0.712713  0.283946  0.489206  1
  Cu  Cu297  1  0.804569  0.701313  0.459330  1
  Cu  Cu298  1  0.316184  0.768817  0.499171  1
  Cu  Cu299  1  0.304569  0.201313  0.459330  1
  Cu  Cu300  1  0.816184  0.268817  0.499171  1
  Cu  Cu301  1  0.749862  0.995867  0.514655  1
  Cu  Cu302  1  0.252963  0.978457  0.471750  1
  Cu  Cu303  1  0.249862  0.495867  0.514655  1
  Cu  Cu304  1  0.752963  0.478457  0.471750  1
  Cu  Cu305  1  0.613359  0.831531  0.517613  1
  Cu  Cu306  1  0.124787  0.827467  0.478619  1
  Cu  Cu307  1  0.113359  0.331531  0.517613  1
  Cu  Cu308  1  0.624787  0.327467  0.478619  1
  Cu  Cu309  1  0.879935  0.642097  0.467502  1
  Cu  Cu310  1  0.373463  0.671721  0.508075  1
  Cu  Cu311  1  0.379935  0.142097  0.467502  1
  Cu  Cu312  1  0.873463  0.171721  0.508075  1
  Cu  Cu313  1  0.937540  0.775871  0.506796  1
  Cu  Cu314  1  0.455546  0.756580  0.471615  1
  Cu  Cu315  1  0.437540  0.275871  0.506796  1
  Cu  Cu316  1  0.955546  0.256580  0.471615  1
  Cu  Cu317  1  0.542744  0.710090  0.473880  1
  Cu  Cu318  1  0.072128  0.780827  0.524845  1
  Cu  Cu319  1  0.042744  0.210090  0.473880  1
  Cu  Cu320  1  0.572128  0.280827  0.524845  1
  Cu  Cu321  1  1.004453  0.108962  0.578881  1
  Cu  Cu322  1  0.503462  0.054514  0.533450  1
  Cu  Cu323  1  0.504453  0.608962  0.578881  1
  Cu  Cu324  1  1.003462  0.554514  0.533450  1
  Cu  Cu325  1  0.860854  0.916725  0.578687  1
  Cu  Cu326  1  0.381437  0.899773  0.541031  1
  Cu  Cu327  1  0.360854  0.416725  0.578687  1
  Cu  Cu328  1  0.881437  0.399773  0.541031  1
  Cu  Cu329  1  0.636797  0.789316  0.575216  1
  Cu  Cu330  1  0.128173  0.825595  0.619507  1
  Cu  Cu331  1  0.136797  0.289316  0.575216  1
  Cu  Cu332  1  0.628173  0.325595  0.619507  1
  Cu  Cu333  1  0.705221  0.927667  0.617104  1
  Cu  Cu334  1  0.200462  0.859667  0.575633  1
  Cu  Cu335  1  0.205221  0.427667  0.617104  1
  Cu  Cu336  1  0.700462  0.359667  0.575633  1
  Cu  Cu337  1  0.794740  0.772527  0.536595  1
  Cu  Cu338  1  0.305159  0.846174  0.586632  1
  Cu  Cu339  1  0.294740  0.272527  0.536595  1
  Cu  Cu340  1  0.805159  0.346174  0.586632  1
  Cu  Cu341  1  0.754731  0.124594  0.593963  1
  Cu  Cu342  1  0.252070  0.082264  0.559210  1
  Cu  Cu343  1  0.254731  0.624594  0.593963  1
  Cu  Cu344  1  0.752070  0.582264  0.559210  1
  Cu  Cu345  1  0.611605  0.942337  0.602043  1
  Cu  Cu346  1  0.127500  0.918235  0.562582  1
  Cu  Cu347  1  0.111605  0.442337  0.602043  1
  Cu  Cu348  1  0.627500  0.418235  0.562582  1
  Cu  Cu349  1  0.882040  0.745625  0.552896  1
  Cu  Cu350  1  0.389448  0.799031  0.586579  1
  Cu  Cu351  1  0.382040  0.245625  0.552896  1
  Cu  Cu352  1  0.889448  0.299031  0.586579  1
  Cu  Cu353  1  0.955096  0.896041  0.590802  1
  Cu  Cu354  1  0.447676  0.819378  0.541943  1
  Cu  Cu355  1  0.455096  0.396041  0.590802  1
  Cu  Cu356  1  0.947676  0.319378  0.541943  1
  Cu  Cu357  1  0.542340  0.804139  0.562970  1
  Cu  Cu358  1  0.041676  0.849203  0.599772  1
  Cu  Cu359  1  0.042340  0.304139  0.562970  1
  Cu  Cu360  1  0.541676  0.349203  0.599772  1
  Cu  Cu361  1  0.928196  0.059538  0.617002  1
  Cu  Cu362  1  0.500076  0.158672  0.626694  1
  Cu  Cu363  1  0.428196  0.559538  0.617002  1
  Cu  Cu364  1  1.000076  0.658672  0.626694  1
  Cu  Cu365  1  0.863520  0.009696  0.660794  1
  Cu  Cu366  1  0.372339  0.990714  0.628726  1
  Cu  Cu367  1  0.363520  0.509696  0.660794  1
  Cu  Cu368  1  0.872339  0.490714  0.628726  1
  Cu  Cu369  1  0.569781  0.749731  0.617568  1
  Cu  Cu370  1  0.209288  0.977453  0.652571  1
  Cu  Cu371  1  0.069781  0.249731  0.617568  1
  Cu  Cu372  1  0.709288  0.477453  0.652571  1
  Cu  Cu373  1  0.635002  0.878950  0.658540  1
  Cu  Cu374  1  0.285613  0.008142  0.607328  1
  Cu  Cu375  1  0.135002  0.378950  0.658540  1
  Cu  Cu376  1  0.785613  0.508142  0.607328  1
  Cu  Cu377  1  0.792597  0.885298  0.620094  1
  Cu  Cu378  1  0.294756  0.938235  0.667492  1
  Cu  Cu379  1  0.292597  0.385298  0.620094  1
  Cu  Cu380  1  0.794756  0.438235  0.667492  1
  Cu  Cu381  1  0.759177  0.235085  0.676793  1
  Cu  Cu382  1  0.251710  0.192030  0.640120  1
  Cu  Cu383  1  0.259177  0.735085  0.676793  1
  Cu  Cu384  1  0.751710  0.692030  0.640120  1
  Cu  Cu385  1  0.630625  0.052736  0.682113  1
  Cu  Cu386  1  0.108009  0.991279  0.640009  1
  Cu  Cu387  1  0.130625  0.552736  0.682113  1
  Cu  Cu388  1  0.608009  0.491279  0.640009  1
  Cu  Cu389  1  0.885207  0.868573  0.634536  1
  Cu  Cu390  1  0.389479  0.907880  0.672124  1
  Cu  Cu391  1  0.385207  0.368573  0.634536  1
  Cu  Cu392  1  0.889479  0.407880  0.672124  1
  Cu  Cu393  1  0.953771  0.978746  0.675093  1
  Cu  Cu394  1  0.457925  0.937676  0.627564  1
  Cu  Cu395  1  0.453771  0.478746  0.675093  1
  Cu  Cu396  1  0.957925  0.437676  0.627564  1
  Cu  Cu397  1  0.547886  0.914250  0.647666  1
  Cu  Cu398  1  0.046118  0.954076  0.683500  1
  Cu  Cu399  1  0.047886  0.414250  0.647666  1
  Cu  Cu400  1  0.546118  0.454076  0.683500  1
