# generated using pymatgen
data_CuAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.63751532
_cell_length_b   5.43088651
_cell_length_c   64.45117740
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.36433385
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg3
_chemical_formula_sum   'Cu36 Ag108'
_cell_volume   5069.02745553
_cell_formula_units_Z   36
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
  Cu  Cu1  1  0.254593  0.812388  0.177702  1
  Cu  Cu2  1  0.617513  0.679051  0.199397  1
  Cu  Cu3  1  0.962776  0.441882  0.221610  1
  Cu  Cu4  1  0.213143  0.314093  0.179259  1
  Cu  Cu5  1  0.575280  1.109604  0.200275  1
  Cu  Cu6  1  0.920068  0.965703  0.223205  1
  Cu  Cu7  1  0.314609  0.286434  0.245730  1
  Cu  Cu8  1  0.664072  1.123268  0.269917  1
  Cu  Cu9  1  0.013016  0.933509  0.294084  1
  Cu  Cu10  1  0.270848  0.789744  0.247318  1
  Cu  Cu11  1  0.621112  0.609645  0.271131  1
  Cu  Cu12  1  0.970116  0.440140  0.295748  1
  Cu  Cu13  1  0.362905  0.753505  0.317598  1
  Cu  Cu14  1  0.711778  0.589002  0.342058  1
  Cu  Cu15  1  0.061626  0.405440  0.366259  1
  Cu  Cu16  1  0.319531  0.267962  0.319215  1
  Cu  Cu17  1  0.668392  1.084079  0.343578  1
  Cu  Cu18  1  0.018255  0.918190  0.367886  1
  Cu  Cu19  1  0.410536  0.227438  0.390002  1
  Cu  Cu20  1  0.760399  1.061550  0.414310  1
  Cu  Cu21  1  0.109260  0.877666  0.438674  1
  Cu  Cu22  1  0.367165  0.740189  0.391629  1
  Cu  Cu23  1  0.717013  0.556627  0.415831  1
  Cu  Cu24  1  0.065886  0.392123  0.440290  1
  Cu  Cu25  1  0.458675  0.705489  0.462140  1
  Cu  Cu26  1  0.807679  0.535984  0.486757  1
  Cu  Cu27  1  0.157943  0.355884  0.510570  1
  Cu  Cu28  1  0.415775  0.212120  0.463804  1
  Cu  Cu29  1  0.764718  1.022360  0.487972  1
  Cu  Cu30  1  0.114182  0.859194  0.512159  1
  Cu  Cu31  1  0.508723  0.179926  0.534684  1
  Cu  Cu32  1  0.853511  1.036025  0.557613  1
  Cu  Cu33  1  0.215648  0.831536  0.578630  1
  Cu  Cu34  1  0.466015  0.703746  0.536278  1
  Cu  Cu35  1  0.811278  0.466578  0.558492  1
  Cu  Cu36  1  0.174198  0.333241  0.580187  1
  Ag  Ag37  1  0.240368  1.039793  0.213080  1
  Ag  Ag38  1  0.545342  0.406325  0.169295  1
  Ag  Ag39  1  0.894249  0.214487  0.187022  1
  Ag  Ag40  1  0.420725  0.967841  0.222295  1
  Ag  Ag41  1  0.719561  0.298227  0.175418  1
  Ag  Ag42  1  0.066457  1.112546  0.199579  1
  Ag  Ag43  1  0.378200  0.216841  0.185029  1
  Ag  Ag44  1  0.743633  1.038371  0.211348  1
  Ag  Ag45  1  0.048676  0.348140  0.162549  1
  Ag  Ag46  1  0.295683  0.562684  0.210151  1
  Ag  Ag47  1  0.646353  0.392151  0.231875  1
  Ag  Ag48  1  0.945603  0.733048  0.180622  1
  Ag  Ag49  1  0.109537  0.625810  0.197101  1
  Ag  Ag50  1  0.470972  0.469873  0.218438  1
  Ag  Ag51  1  0.757351  0.808705  0.172652  1
  Ag  Ag52  1  0.145204  0.386350  0.233852  1
  Ag  Ag53  1  0.440931  0.759828  0.182971  1
  Ag  Ag54  1  0.803353  0.574227  0.209058  1
  Ag  Ag55  1  0.290227  0.515398  0.283704  1
  Ag  Ag56  1  0.592897  0.872773  0.236819  1
  Ag  Ag57  1  0.940293  0.689325  0.260596  1
  Ag  Ag58  1  0.467154  0.435924  0.295297  1
  Ag  Ag59  1  0.769396  0.788171  0.248046  1
  Ag  Ag60  1  0.116973  0.607258  0.272090  1
  Ag  Ag61  1  0.435583  0.681036  0.257609  1
  Ag  Ag62  1  0.786452  0.509114  0.283488  1
  Ag  Ag63  1  0.085497  0.846164  0.235075  1
  Ag  Ag64  1  0.344701  1.032725  0.280853  1
  Ag  Ag65  1  0.692852  0.859211  0.305159  1
  Ag  Ag66  1  0.993551  0.204661  0.257358  1
  Ag  Ag67  1  0.167341  1.110290  0.268976  1
  Ag  Ag68  1  0.517537  0.938308  0.292123  1
  Ag  Ag69  1  0.816822  0.294682  0.245435  1
  Ag  Ag70  1  0.197555  0.868251  0.306240  1
  Ag  Ag71  1  0.496826  0.223617  0.256924  1
  Ag  Ag72  1  0.846528  1.047688  0.282583  1
  Ag  Ag73  1  0.337733  0.988604  0.356114  1
  Ag  Ag74  1  0.638664  0.340314  0.308423  1
  Ag  Ag75  1  0.988582  0.167358  0.332329  1
  Ag  Ag76  1  0.514481  0.907763  0.367969  1
  Ag  Ag77  1  0.815194  0.262660  0.320708  1
  Ag  Ag78  1  0.165223  1.084593  0.344276  1
  Ag  Ag79  1  0.483734  1.151428  0.330514  1
  Ag  Ag80  1  0.835339  0.980451  0.355634  1
  Ag  Ag81  1  0.136569  0.327743  0.307031  1
  Ag  Ag82  1  0.392090  0.504676  0.353348  1
  Ag  Ag83  1  0.741817  0.332340  0.377303  1
  Ag  Ag84  1  0.043239  0.683414  0.329322  1
  Ag  Ag85  1  0.215680  0.586703  0.341294  1
  Ag  Ag86  1  0.565334  0.410052  0.364859  1
  Ag  Ag87  1  0.866082  0.765209  0.317600  1
  Ag  Ag88  1  0.244768  0.342700  0.378594  1
  Ag  Ag89  1  0.544271  0.692061  0.329859  1
  Ag  Ag90  1  0.896659  0.521557  0.354878  1
  Ag  Ag91  1  0.385552  0.462215  0.428566  1
  Ag  Ag92  1  0.686974  0.813289  0.380586  1
  Ag  Ag93  1  0.036701  0.640952  0.404540  1
  Ag  Ag94  1  0.562709  0.380420  0.440289  1
  Ag  Ag95  1  0.863457  0.735577  0.393029  1
  Ag  Ag96  1  0.213110  0.558925  0.416594  1
  Ag  Ag97  1  0.532132  0.624072  0.403011  1
  Ag  Ag98  1  0.884520  0.453568  0.428029  1
  Ag  Ag99  1  0.184023  0.802929  0.379294  1
  Ag  Ag100  1  0.440209  0.978271  0.425559  1
  Ag  Ag101  1  0.790127  0.805314  0.449466  1
  Ag  Ag102  1  0.091058  1.157024  0.401775  1
  Ag  Ag103  1  0.263568  1.061036  0.413613  1
  Ag  Ag104  1  0.613596  0.882969  0.437181  1
  Ag  Ag105  1  0.914310  0.237866  0.389919  1
  Ag  Ag106  1  0.292222  0.817885  0.450857  1
  Ag  Ag107  1  0.593452  0.165178  0.402254  1
  Ag  Ag108  1  0.945057  0.994201  0.427374  1
  Ag  Ag109  1  0.435240  0.940968  0.500530  1
  Ag  Ag110  1  0.735939  0.286418  0.452729  1
  Ag  Ag111  1  0.084090  1.112904  0.477036  1
  Ag  Ag112  1  0.611969  0.850947  0.512453  1
  Ag  Ag113  1  0.911254  0.207321  0.465766  1
  Ag  Ag114  1  0.261450  1.035338  0.488912  1
  Ag  Ag115  1  0.582263  1.097940  0.475305  1
  Ag  Ag116  1  0.931965  0.922012  0.500964  1
  Ag  Ag117  1  0.231236  0.277378  0.451648  1
  Ag  Ag118  1  0.488498  0.456304  0.497292  1
  Ag  Ag119  1  0.835894  0.272856  0.521069  1
  Ag  Ag120  1  0.138564  0.630231  0.474184  1
  Ag  Ag121  1  0.311818  0.538370  0.485799  1
  Ag  Ag122  1  0.659395  0.357457  0.509842  1
  Ag  Ag123  1  0.961637  0.709705  0.462591  1
  Ag  Ag124  1  0.343294  0.299465  0.522813  1
  Ag  Ag125  1  0.642339  0.636514  0.474400  1
  Ag  Ag126  1  0.993208  0.464593  0.500280  1
  Ag  Ag127  1  0.483188  0.412580  0.577266  1
  Ag  Ag128  1  0.782438  0.753477  0.526013  1
  Ag  Ag129  1  0.133108  0.582945  0.547737  1
  Ag  Ag130  1  0.671440  0.336923  0.585237  1
  Ag  Ag131  1  0.957819  0.675755  0.539451  1
  Ag  Ag132  1  0.319254  0.519818  0.560787  1
  Ag  Ag133  1  0.625438  0.571402  0.548830  1
  Ag  Ag134  1  0.987860  0.385800  0.574917  1
  Ag  Ag135  1  0.283587  0.759279  0.524036  1
  Ag  Ag136  1  0.534542  0.931142  0.570866  1
  Ag  Ag137  1  0.883449  0.739304  0.588594  1
  Ag  Ag138  1  0.188423  1.105836  0.544809  1
  Ag  Ag139  1  0.362334  1.033083  0.558309  1
  Ag  Ag140  1  0.709230  0.847402  0.582470  1
  Ag  Ag141  1  0.008066  0.177787  0.535593  1
  Ag  Ag142  1  0.380115  0.797489  0.595340  1
  Ag  Ag143  1  0.685158  1.107258  0.546540  1
  Ag  Ag144  1  0.050591  0.928788  0.572859  1
