# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.53805820
_cell_length_b   16.27529032
_cell_length_c   49.78741275
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.31600335
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu3
_chemical_formula_sum   'Al90 Cu270'
_cell_volume   10922.7674926
_cell_formula_units_Z   90
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  0.531784  0.592111  0.291238  1
  Al  Al2  1  0.198450  0.258777  0.291238  1
  Al  Al3  1  0.235382  0.570897  0.315955  1
  Al  Al4  1  0.935921  0.548714  0.345867  1
  Al  Al5  1  0.865117  0.925444  0.291238  1
  Al  Al6  1  0.902048  0.237564  0.315955  1
  Al  Al7  1  0.602587  0.215381  0.345867  1
  Al  Al8  1  0.568715  0.904231  0.315955  1
  Al  Al9  1  0.269254  0.882047  0.345867  1
  Al  Al10  1  0.802579  0.360110  0.372388  1
  Al  Al11  1  0.469246  0.026777  0.372388  1
  Al  Al12  1  0.401654  0.408903  0.314238  1
  Al  Al13  1  0.101885  0.383901  0.345207  1
  Al  Al14  1  0.135913  0.693443  0.372388  1
  Al  Al15  1  0.068321  0.075570  0.314238  1
  Al  Al16  1  0.768552  0.050568  0.345207  1
  Al  Al17  1  0.734987  0.742237  0.314238  1
  Al  Al18  1  0.435219  0.717234  0.345207  1
  Al  Al19  1  0.637206  0.525751  0.373041  1
  Al  Al20  1  0.303872  0.192418  0.373041  1
  Al  Al21  1  0.339113  0.502515  0.400706  1
  Al  Al22  1  0.040013  0.479405  0.428900  1
  Al  Al23  1  0.970539  0.859085  0.373041  1
  Al  Al24  1  0.005780  0.169182  0.400706  1
  Al  Al25  1  0.706680  0.146072  0.428900  1
  Al  Al26  1  0.672446  0.835848  0.400706  1
  Al  Al27  1  0.373347  0.812738  0.428900  1
  Al  Al28  1  0.906885  0.291355  0.455697  1
  Al  Al29  1  0.573552  0.958021  0.455697  1
  Al  Al30  1  0.503642  0.337255  0.400088  1
  Al  Al31  1  0.205280  0.314422  0.427950  1
  Al  Al32  1  0.240219  0.624688  0.455697  1
  Al  Al33  1  0.170309  0.003922  0.400088  1
  Al  Al34  1  0.871947  0.981089  0.427950  1
  Al  Al35  1  0.836976  0.670589  0.400088  1
  Al  Al36  1  0.538613  0.647755  0.427950  1
  Al  Al37  1  0.741079  0.456611  0.456626  1
  Al  Al38  1  0.407746  0.123278  0.456626  1
  Al  Al39  1  0.442475  0.433623  0.484417  1
  Al  Al40  1  0.143787  0.410595  0.512226  1
  Al  Al41  1  0.074412  0.789945  0.456626  1
  Al  Al42  1  0.109142  0.100290  0.484417  1
  Al  Al43  1  0.810454  0.077262  0.512226  1
  Al  Al44  1  0.775809  0.766957  0.484417  1
  Al  Al45  1  0.477121  0.743929  0.512226  1
  Al  Al46  1  0.010715  0.222315  0.539174  1
  Al  Al47  1  0.677382  0.888982  0.539174  1
  Al  Al48  1  0.608007  0.268331  0.483573  1
  Al  Al49  1  0.309319  0.245303  0.511383  1
  Al  Al50  1  0.344049  0.555649  0.539174  1
  Al  Al51  1  0.274674  0.934998  0.483573  1
  Al  Al52  1  0.975986  0.911970  0.511383  1
  Al  Al53  1  0.941340  0.601665  0.483573  1
  Al  Al54  1  0.642652  0.578637  0.511383  1
  Al  Al55  1  0.844909  0.387572  0.540103  1
  Al  Al56  1  0.511576  0.054239  0.540103  1
  Al  Al57  1  0.546515  0.364504  0.567849  1
  Al  Al58  1  0.248152  0.341671  0.595711  1
  Al  Al59  1  0.178242  0.720905  0.540103  1
  Al  Al60  1  0.213181  0.031171  0.567849  1
  Al  Al61  1  0.914819  0.008338  0.595711  1
  Al  Al62  1  0.879848  0.697838  0.567849  1
  Al  Al63  1  0.581485  0.675004  0.595711  1
  Al  Al64  1  0.114589  0.153175  0.622758  1
  Al  Al65  1  0.781255  0.819842  0.622758  1
  Al  Al66  1  0.711781  0.199521  0.566900  1
  Al  Al67  1  0.412681  0.176412  0.595094  1
  Al  Al68  1  0.447922  0.486509  0.622758  1
  Al  Al69  1  0.378448  0.866188  0.566900  1
  Al  Al70  1  0.079348  0.843078  0.595094  1
  Al  Al71  1  0.045114  0.532855  0.566900  1
  Al  Al72  1  0.746015  0.509745  0.595094  1
  Al  Al73  1  0.949215  0.318816  0.623411  1
  Al  Al74  1  0.615882  0.985483  0.623411  1
  Al  Al75  1  0.649909  0.295025  0.650593  1
  Al  Al76  1  0.350140  0.270023  0.681562  1
  Al  Al77  1  0.282548  0.652150  0.623411  1
  Al  Al78  1  0.316576  0.961692  0.650593  1
  Al  Al79  1  0.016807  0.936690  0.681562  1
  Al  Al80  1  0.983242  0.628359  0.650593  1
  Al  Al81  1  0.683474  0.603357  0.681562  1
  Al  Al82  1  0.220011  0.086816  0.704562  1
  Al  Al83  1  0.886677  0.753483  0.704562  1
  Al  Al84  1  0.815874  0.130213  0.649932  1
  Al  Al85  1  0.516413  0.108029  0.679845  1
  Al  Al86  1  0.553344  0.420149  0.704562  1
  Al  Al87  1  0.482540  0.796879  0.649932  1
  Al  Al88  1  0.183079  0.774696  0.679845  1
  Al  Al89  1  0.149207  0.463546  0.649932  1
  Al  Al90  1  0.849746  0.441363  0.679845  1
  Cu  Cu91  1  0.618470  0.370737  0.358559  1
  Cu  Cu92  1  0.285137  0.037404  0.358559  1
  Cu  Cu93  1  0.214962  0.414758  0.303471  1
  Cu  Cu94  1  0.917251  0.392818  0.330811  1
  Cu  Cu95  1  0.951803  0.704070  0.358559  1
  Cu  Cu96  1  0.881629  0.081424  0.303471  1
  Cu  Cu97  1  0.583918  0.059485  0.330811  1
  Cu  Cu98  1  0.548295  0.748091  0.303471  1
  Cu  Cu99  1  0.250584  0.726151  0.330811  1
  Cu  Cu100  1  0.718279  0.581800  0.304950  1
  Cu  Cu101  1  0.384946  0.248467  0.304950  1
  Cu  Cu102  1  0.419988  0.561032  0.332202  1
  Cu  Cu103  1  0.121605  0.538494  0.358926  1
  Cu  Cu104  1  0.051613  0.915133  0.304950  1
  Cu  Cu105  1  0.086655  0.227699  0.332202  1
  Cu  Cu106  1  0.788272  0.205160  0.358926  1
  Cu  Cu107  1  0.753321  0.894366  0.332202  1
  Cu  Cu108  1  0.454939  0.871827  0.358926  1
  Cu  Cu109  1  0.595232  0.638577  0.338297  1
  Cu  Cu110  1  0.261899  0.305243  0.338297  1
  Cu  Cu111  1  0.294770  0.614301  0.365711  1
  Cu  Cu112  1  0.893535  0.660231  0.310928  1
  Cu  Cu113  1  0.928565  0.971910  0.338297  1
  Cu  Cu114  1  0.961437  0.280968  0.365711  1
  Cu  Cu115  1  0.560202  0.326897  0.310928  1
  Cu  Cu116  1  0.628103  0.947635  0.365711  1
  Cu  Cu117  1  0.226869  0.993564  0.310928  1
  Cu  Cu118  1  0.579108  0.480792  0.324446  1
  Cu  Cu119  1  0.245775  0.147459  0.324446  1
  Cu  Cu120  1  0.279210  0.459646  0.351763  1
  Cu  Cu121  1  0.873338  0.505291  0.298667  1
  Cu  Cu122  1  0.912442  0.814125  0.324446  1
  Cu  Cu123  1  0.945877  0.126313  0.351763  1
  Cu  Cu124  1  0.540005  0.171957  0.298667  1
  Cu  Cu125  1  0.612544  0.792979  0.351763  1
  Cu  Cu126  1  0.206672  0.838624  0.298667  1
  Cu  Cu127  1  0.776696  0.628756  0.351170  1
  Cu  Cu128  1  0.443363  0.295422  0.351170  1
  Cu  Cu129  1  0.375965  0.674492  0.297226  1
  Cu  Cu130  1  0.075244  0.652346  0.323149  1
  Cu  Cu131  1  0.110030  0.962089  0.351170  1
  Cu  Cu132  1  0.042632  0.341159  0.297226  1
  Cu  Cu133  1  0.741910  0.319013  0.323149  1
  Cu  Cu134  1  0.709299  0.007826  0.297226  1
  Cu  Cu135  1  0.408577  0.985680  0.323149  1
  Cu  Cu136  1  0.758897  0.471599  0.337797  1
  Cu  Cu137  1  0.425564  0.138266  0.337797  1
  Cu  Cu138  1  0.460676  0.448616  0.364664  1
  Cu  Cu139  1  0.056572  0.495903  0.310069  1
  Cu  Cu140  1  0.092230  0.804932  0.337797  1
  Cu  Cu141  1  0.127343  0.115283  0.364664  1
  Cu  Cu142  1  0.723239  0.162569  0.310069  1
  Cu  Cu143  1  0.794010  0.781950  0.364664  1
  Cu  Cu144  1  0.389905  0.829236  0.310069  1
  Cu  Cu145  1  0.722352  0.302344  0.441554  1
  Cu  Cu146  1  0.389018  0.969011  0.441554  1
  Cu  Cu147  1  0.319428  0.348585  0.385879  1
  Cu  Cu148  1  0.020889  0.325287  0.413473  1
  Cu  Cu149  1  0.055685  0.635677  0.441554  1
  Cu  Cu150  1  0.986095  0.015251  0.385879  1
  Cu  Cu151  1  0.687555  0.991953  0.413473  1
  Cu  Cu152  1  0.652762  0.681918  0.385879  1
  Cu  Cu153  1  0.354222  0.658620  0.413473  1
  Cu  Cu154  1  0.821238  0.514597  0.387463  1
  Cu  Cu155  1  0.487905  0.181264  0.387463  1
  Cu  Cu156  1  0.523063  0.491354  0.415082  1
  Cu  Cu157  1  0.224668  0.468644  0.442981  1
  Cu  Cu158  1  0.154571  0.847931  0.387463  1
  Cu  Cu159  1  0.189730  0.158021  0.415082  1
  Cu  Cu160  1  0.891335  0.135311  0.442981  1
  Cu  Cu161  1  0.856396  0.824688  0.415082  1
  Cu  Cu162  1  0.558001  0.801978  0.442981  1
  Cu  Cu163  1  0.697481  0.569034  0.421770  1
  Cu  Cu164  1  0.364148  0.235700  0.421770  1
  Cu  Cu165  1  0.399131  0.545994  0.449468  1
  Cu  Cu166  1  0.996857  0.591708  0.394169  1
  Cu  Cu167  1  0.030814  0.902367  0.421770  1
  Cu  Cu168  1  0.065798  0.212661  0.449468  1
  Cu  Cu169  1  0.663524  0.258375  0.394169  1
  Cu  Cu170  1  0.732464  0.879327  0.449468  1
  Cu  Cu171  1  0.330190  0.925041  0.394169  1
  Cu  Cu172  1  0.680374  0.413556  0.407959  1
  Cu  Cu173  1  0.347041  0.080223  0.407959  1
  Cu  Cu174  1  0.381762  0.390649  0.435689  1
  Cu  Cu175  1  0.979231  0.436714  0.380244  1
  Cu  Cu176  1  0.013708  0.746889  0.407959  1
  Cu  Cu177  1  0.048429  0.057316  0.435689  1
  Cu  Cu178  1  0.645898  0.103381  0.380244  1
  Cu  Cu179  1  0.715095  0.723982  0.435689  1
  Cu  Cu180  1  0.312565  0.770048  0.380244  1
  Cu  Cu181  1  0.880728  0.558203  0.434974  1
  Cu  Cu182  1  0.547395  0.224869  0.434974  1
  Cu  Cu183  1  0.478603  0.604042  0.379435  1
  Cu  Cu184  1  0.179767  0.581151  0.407031  1
  Cu  Cu185  1  0.214062  0.891536  0.434974  1
  Cu  Cu186  1  0.145269  0.270708  0.379435  1
  Cu  Cu187  1  0.846433  0.247818  0.407031  1
  Cu  Cu188  1  0.811936  0.937375  0.379435  1
  Cu  Cu189  1  0.513100  0.914485  0.407031  1
  Cu  Cu190  1  0.863363  0.403351  0.421067  1
  Cu  Cu191  1  0.530029  0.070017  0.421067  1
  Cu  Cu192  1  0.564646  0.380294  0.448832  1
  Cu  Cu193  1  0.162690  0.427164  0.393238  1
  Cu  Cu194  1  0.196696  0.736684  0.421067  1
  Cu  Cu195  1  0.231313  0.046960  0.448832  1
  Cu  Cu196  1  0.829356  0.093830  0.393238  1
  Cu  Cu197  1  0.897980  0.713627  0.448832  1
  Cu  Cu198  1  0.496023  0.760497  0.393238  1
  Cu  Cu199  1  0.826166  0.233405  0.524922  1
  Cu  Cu200  1  0.492833  0.900072  0.524922  1
  Cu  Cu201  1  0.423419  0.279405  0.469309  1
  Cu  Cu202  1  0.124804  0.256388  0.497101  1
  Cu  Cu203  1  0.159500  0.566739  0.524922  1
  Cu  Cu204  1  0.090086  0.946071  0.469309  1
  Cu  Cu205  1  0.791471  0.923054  0.497101  1
  Cu  Cu206  1  0.756752  0.612738  0.469309  1
  Cu  Cu207  1  0.458137  0.589721  0.497101  1
  Cu  Cu208  1  0.925628  0.445521  0.470878  1
  Cu  Cu209  1  0.592295  0.112188  0.470878  1
  Cu  Cu210  1  0.626990  0.422539  0.498699  1
  Cu  Cu211  1  0.328375  0.399522  0.526490  1
  Cu  Cu212  1  0.258961  0.778855  0.470878  1
  Cu  Cu213  1  0.293657  0.089206  0.498699  1
  Cu  Cu214  1  0.995042  0.066188  0.526490  1
  Cu  Cu215  1  0.960324  0.755872  0.498699  1
  Cu  Cu216  1  0.661709  0.732855  0.526490  1
  Cu  Cu217  1  0.801638  0.500015  0.505240  1
  Cu  Cu218  1  0.468304  0.166681  0.505240  1
  Cu  Cu219  1  0.503141  0.477083  0.533060  1
  Cu  Cu220  1  0.100520  0.523038  0.477409  1
  Cu  Cu221  1  0.134971  0.833348  0.505240  1
  Cu  Cu222  1  0.169808  0.143750  0.533060  1
  Cu  Cu223  1  0.767186  0.189704  0.477409  1
  Cu  Cu224  1  0.836474  0.810416  0.533060  1
  Cu  Cu225  1  0.433853  0.856371  0.477409  1
  Cu  Cu226  1  0.784487  0.344576  0.491325  1
  Cu  Cu227  1  0.451153  0.011243  0.491325  1
  Cu  Cu228  1  0.485739  0.321567  0.519137  1
  Cu  Cu229  1  0.083175  0.367515  0.463510  1
  Cu  Cu230  1  0.117820  0.677910  0.491325  1
  Cu  Cu231  1  0.152406  0.988233  0.519137  1
  Cu  Cu232  1  0.749842  0.034182  0.463510  1
  Cu  Cu233  1  0.819072  0.654900  0.519137  1
  Cu  Cu234  1  0.416508  0.700849  0.463510  1
  Cu  Cu235  1  0.984608  0.489222  0.518390  1
  Cu  Cu236  1  0.651275  0.155889  0.518390  1
  Cu  Cu237  1  0.581987  0.535177  0.462739  1
  Cu  Cu238  1  0.283490  0.512245  0.490559  1
  Cu  Cu239  1  0.317941  0.822555  0.518390  1
  Cu  Cu240  1  0.248653  0.201844  0.462739  1
  Cu  Cu241  1  0.950157  0.178912  0.490559  1
  Cu  Cu242  1  0.915320  0.868510  0.462739  1
  Cu  Cu243  1  0.616824  0.845579  0.490559  1
  Cu  Cu244  1  0.967308  0.334350  0.504475  1
  Cu  Cu245  1  0.633974  1.001017  0.504475  1
  Cu  Cu246  1  0.668619  0.311411  0.532290  1
  Cu  Cu247  1  0.266055  0.357360  0.476663  1
  Cu  Cu248  1  0.300641  0.667683  0.504475  1
  Cu  Cu249  1  0.335286  0.978078  0.532290  1
  Cu  Cu250  1  0.932722  0.024027  0.476663  1
  Cu  Cu251  1  1.001953  0.644745  0.532290  1
  Cu  Cu252  1  0.599389  0.690693  0.476663  1
  Cu  Cu253  1  0.930556  0.164329  0.608337  1
  Cu  Cu254  1  0.597223  0.830996  0.608337  1
  Cu  Cu255  1  0.527126  0.210282  0.552818  1
  Cu  Cu256  1  0.228732  0.187572  0.580718  1
  Cu  Cu257  1  0.263890  0.497663  0.608337  1
  Cu  Cu258  1  0.193793  0.876949  0.552818  1
  Cu  Cu259  1  0.895398  0.854239  0.580718  1
  Cu  Cu260  1  0.860460  0.543616  0.552818  1
  Cu  Cu261  1  0.562065  0.520906  0.580718  1
  Cu  Cu262  1  0.029443  0.376583  0.554246  1
  Cu  Cu263  1  0.696110  0.043249  0.554246  1
  Cu  Cu264  1  0.730906  0.353640  0.582327  1
  Cu  Cu265  1  0.432366  0.330342  0.609920  1
  Cu  Cu266  1  0.362776  0.709916  0.554246  1
  Cu  Cu267  1  0.397573  0.020306  0.582327  1
  Cu  Cu268  1  0.099033  0.997008  0.609920  1
  Cu  Cu269  1  0.064239  0.686973  0.582327  1
  Cu  Cu270  1  0.765699  0.663675  0.609920  1
  Cu  Cu271  1  0.905361  0.431109  0.588769  1
  Cu  Cu272  1  0.572028  0.097775  0.588769  1
  Cu  Cu273  1  0.606525  0.408218  0.616365  1
  Cu  Cu274  1  0.204399  0.454057  0.560825  1
  Cu  Cu275  1  0.238694  0.764442  0.588769  1
  Cu  Cu276  1  0.273192  0.074885  0.616365  1
  Cu  Cu277  1  0.871066  0.120724  0.560825  1
  Cu  Cu278  1  0.939858  0.741552  0.616365  1
  Cu  Cu279  1  0.537733  0.787391  0.560825  1
  Cu  Cu280  1  0.888432  0.275576  0.574733  1
  Cu  Cu281  1  0.555098  0.942243  0.574733  1
  Cu  Cu282  1  0.589105  0.251763  0.602561  1
  Cu  Cu283  1  0.187148  0.298633  0.546968  1
  Cu  Cu284  1  0.221765  0.608909  0.574733  1
  Cu  Cu285  1  0.255771  0.918430  0.602561  1
  Cu  Cu286  1  0.853815  0.965300  0.546968  1
  Cu  Cu287  1  0.922438  0.585096  0.602561  1
  Cu  Cu288  1  0.520481  0.631966  0.546968  1
  Cu  Cu289  1  0.088271  0.420552  0.601630  1
  Cu  Cu290  1  0.754937  0.087219  0.601630  1
  Cu  Cu291  1  0.685997  0.466266  0.546332  1
  Cu  Cu292  1  0.387647  0.443226  0.574030  1
  Cu  Cu293  1  0.421604  0.753885  0.601630  1
  Cu  Cu294  1  0.352664  0.132932  0.546332  1
  Cu  Cu295  1  0.054313  0.109893  0.574030  1
  Cu  Cu296  1  0.019330  0.799599  0.546332  1
  Cu  Cu297  1  0.720980  0.776560  0.574030  1
  Cu  Cu298  1  0.071420  0.265371  0.587841  1
  Cu  Cu299  1  0.738087  0.932037  0.587841  1
  Cu  Cu300  1  0.772563  0.242212  0.615556  1
  Cu  Cu301  1  0.370032  0.288278  0.560110  1
  Cu  Cu302  1  0.404753  0.598704  0.587841  1
  Cu  Cu303  1  0.439230  0.908879  0.615556  1
  Cu  Cu304  1  0.036699  0.954944  0.560110  1
  Cu  Cu305  1  0.105896  0.575546  0.615556  1
  Cu  Cu306  1  0.703366  0.621611  0.560110  1
  Cu  Cu307  1  0.033515  0.097127  0.690850  1
  Cu  Cu308  1  0.700182  0.763793  0.690850  1
  Cu  Cu309  1  0.630189  0.140433  0.636873  1
  Cu  Cu310  1  0.331806  0.117894  0.663597  1
  Cu  Cu311  1  0.366848  0.430460  0.690850  1
  Cu  Cu312  1  0.296856  0.807100  0.636873  1
  Cu  Cu313  1  0.998473  0.784561  0.663597  1
  Cu  Cu314  1  0.963522  0.473766  0.636873  1
  Cu  Cu315  1  0.665140  0.451228  0.663597  1
  Cu  Cu316  1  0.133325  0.308190  0.637241  1
  Cu  Cu317  1  0.799991  0.974856  0.637241  1
  Cu  Cu318  1  0.834543  0.286109  0.664989  1
  Cu  Cu319  1  0.536832  0.264169  0.692329  1
  Cu  Cu320  1  0.466658  0.641523  0.637241  1
  Cu  Cu321  1  0.501210  0.952775  0.664989  1
  Cu  Cu322  1  0.203499  0.930835  0.692329  1
  Cu  Cu323  1  0.167877  0.619442  0.664989  1
  Cu  Cu324  1  0.870166  0.597502  0.692329  1
  Cu  Cu325  1  0.009884  0.359913  0.672650  1
  Cu  Cu326  1  0.676551  0.026580  0.672650  1
  Cu  Cu327  1  0.709163  0.337768  0.698574  1
  Cu  Cu328  1  0.308431  0.383504  0.644629  1
  Cu  Cu329  1  0.343217  0.693247  0.672650  1
  Cu  Cu330  1  0.375829  0.004434  0.698574  1
  Cu  Cu331  1  0.975098  0.050171  0.644629  1
  Cu  Cu332  1  0.042496  0.671101  0.698574  1
  Cu  Cu333  1  0.641765  0.716837  0.644629  1
  Cu  Cu334  1  0.992897  0.207328  0.658003  1
  Cu  Cu335  1  0.659564  0.873994  0.658003  1
  Cu  Cu336  1  0.695222  0.183024  0.685730  1
  Cu  Cu337  1  0.291118  0.230310  0.631136  1
  Cu  Cu338  1  0.326231  0.540661  0.658003  1
  Cu  Cu339  1  0.361889  0.849691  0.685730  1
  Cu  Cu340  1  0.957785  0.896977  0.631136  1
  Cu  Cu341  1  0.028556  0.516357  0.685730  1
  Cu  Cu342  1  0.624451  0.563644  0.631136  1
  Cu  Cu343  1  0.191593  0.352029  0.684872  1
  Cu  Cu344  1  0.858259  0.018696  0.684872  1
  Cu  Cu345  1  0.790358  0.397959  0.630088  1
  Cu  Cu346  1  0.489896  0.373683  0.657503  1
  Cu  Cu347  1  0.524926  0.685362  0.684872  1
  Cu  Cu348  1  0.457024  0.064625  0.630088  1
  Cu  Cu349  1  0.156562  0.040350  0.657503  1
  Cu  Cu350  1  0.123691  0.731292  0.630088  1
  Cu  Cu351  1  0.823229  0.707017  0.657503  1
  Cu  Cu352  1  0.172686  0.198135  0.671354  1
  Cu  Cu353  1  0.839353  0.864801  0.671354  1
  Cu  Cu354  1  0.878456  0.173636  0.697133  1
  Cu  Cu355  1  0.472584  0.219281  0.644037  1
  Cu  Cu356  1  0.506019  0.531468  0.671354  1
  Cu  Cu357  1  0.545123  0.840303  0.697133  1
  Cu  Cu358  1  0.139251  0.885947  0.644037  1
  Cu  Cu359  1  0.211789  0.506969  0.697133  1
  Cu  Cu360  1  0.805917  0.552614  0.644037  1
