# generated using pymatgen
data_CuAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.19859070
_cell_length_b   7.20795510
_cell_length_c   48.94503936
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   57.48898598
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg3
_chemical_formula_sum   'Cu42 Ag126'
_cell_volume   6009.21605231
_cell_formula_units_Z   42
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  0.004063  0.994582  0.319511  1
  Cu  Cu2  1  0.300223  0.854564  0.338227  1
  Cu  Cu3  1  0.707016  0.139121  0.300222  1
  Cu  Cu4  1  0.920967  0.617012  0.303603  1
  Cu  Cu5  1  0.218135  0.475685  0.321958  1
  Cu  Cu6  1  0.628676  0.766402  0.284430  1
  Cu  Cu7  1  0.894844  0.560228  0.380669  1
  Cu  Cu8  1  0.192856  0.414286  0.401311  1
  Cu  Cu9  1  0.597765  0.706782  0.358917  1
  Cu  Cu10  1  0.814291  0.180942  0.362867  1
  Cu  Cu11  1  0.111562  0.036224  0.384302  1
  Cu  Cu12  1  0.517370  0.328084  0.341800  1
  Cu  Cu13  1  0.786905  0.122380  0.443499  1
  Cu  Cu14  1  0.084595  0.975991  0.464286  1
  Cu  Cu15  1  0.489605  0.268966  0.422088  1
  Cu  Cu16  1  0.706094  0.743976  0.425904  1
  Cu  Cu17  1  0.003494  0.598099  0.447008  1
  Cu  Cu18  1  0.408698  0.890754  0.404465  1
  Cu  Cu19  1  0.679149  0.683733  0.506082  1
  Cu  Cu20  1  0.976392  0.537786  0.527187  1
  Cu  Cu21  1  0.381818  0.830194  0.484882  1
  Cu  Cu22  1  0.598149  0.305820  0.488544  1
  Cu  Cu23  1  0.895480  0.159359  0.509744  1
  Cu  Cu24  1  0.300906  0.451767  0.467439  1
  Cu  Cu25  1  0.571204  0.245577  0.568722  1
  Cu  Cu26  1  0.868600  0.098799  0.590161  1
  Cu  Cu27  1  0.273804  0.391454  0.547618  1
  Cu  Cu28  1  0.490393  0.867173  0.551127  1
  Cu  Cu29  1  0.787693  0.720587  0.572538  1
  Cu  Cu30  1  0.192703  0.013562  0.530340  1
  Cu  Cu31  1  0.463007  0.808611  0.631759  1
  Cu  Cu32  1  0.759928  0.661469  0.652826  1
  Cu  Cu33  1  0.165737  0.953329  0.610324  1
  Cu  Cu34  1  0.382454  0.429325  0.613958  1
  Cu  Cu35  1  0.679534  0.282771  0.635709  1
  Cu  Cu36  1  0.084442  0.575267  0.593315  1
  Cu  Cu37  1  0.356331  0.372541  0.691023  1
  Cu  Cu38  1  0.648622  0.223151  0.710197  1
  Cu  Cu39  1  0.059163  0.513868  0.672668  1
  Cu  Cu40  1  0.273235  0.994970  0.675115  1
  Cu  Cu41  1  0.570282  0.850432  0.694405  1
  Cu  Cu42  1  0.977075  0.134989  0.656399  1
  Ag  Ag43  1  0.870853  0.391221  0.330854  1
  Ag  Ag44  1  0.272159  0.695745  0.291083  1
  Ag  Ag45  1  0.572333  0.548078  0.310293  1
  Ag  Ag46  1  0.124633  0.763740  0.282087  1
  Ag  Ag47  1  0.423049  0.617908  0.300334  1
  Ag  Ag48  1  0.722688  0.464689  0.320988  1
  Ag  Ag49  1  0.065349  0.556031  0.310449  1
  Ag  Ag50  1  0.367680  0.405156  0.331307  1
  Ag  Ag51  1  0.773504  0.703799  0.290615  1
  Ag  Ag52  1  0.048818  0.220180  0.288342  1
  Ag  Ag53  1  0.350212  0.077872  0.306564  1
  Ag  Ag54  1  0.651012  0.925640  0.329653  1
  Ag  Ag55  1  0.801350  0.852352  0.339519  1
  Ag  Ag56  1  0.201651  0.153843  0.296667  1
  Ag  Ag57  1  0.501439  1.003671  0.316629  1
  Ag  Ag58  1  0.858174  0.058373  0.306073  1
  Ag  Ag59  1  0.151737  0.926857  0.329109  1
  Ag  Ag60  1  0.563688  0.209175  0.287382  1
  Ag  Ag61  1  0.760905  0.961349  0.394741  1
  Ag  Ag62  1  0.166098  0.256704  0.352413  1
  Ag  Ag63  1  0.464608  0.106550  0.372927  1
  Ag  Ag64  1  0.016297  0.328799  0.343474  1
  Ag  Ag65  1  0.314233  0.180643  0.362563  1
  Ag  Ag66  1  0.611354  0.035415  0.384395  1
  Ag  Ag67  1  0.961502  0.114398  0.373937  1
  Ag  Ag68  1  0.259562  0.967429  0.393916  1
  Ag  Ag69  1  0.664132  0.262562  0.352748  1
  Ag  Ag70  1  0.947442  0.784879  0.349818  1
  Ag  Ag71  1  0.245835  0.634784  0.369842  1
  Ag  Ag72  1  0.542182  0.491102  0.390680  1
  Ag  Ag73  1  0.692535  0.415866  0.401474  1
  Ag  Ag74  1  0.097957  0.707869  0.359681  1
  Ag  Ag75  1  0.395478  0.561976  0.379941  1
  Ag  Ag76  1  0.748130  0.625735  0.370108  1
  Ag  Ag77  1  0.044559  0.485217  0.391591  1
  Ag  Ag78  1  0.449627  0.776959  0.348591  1
  Ag  Ag79  1  0.653163  0.523334  0.457284  1
  Ag  Ag80  1  0.058431  0.816197  0.415607  1
  Ag  Ag81  1  0.355878  0.669251  0.435959  1
  Ag  Ag82  1  0.908118  0.889539  0.405315  1
  Ag  Ag83  1  0.206188  0.742304  0.425712  1
  Ag  Ag84  1  0.502991  0.597951  0.446572  1
  Ag  Ag85  1  0.854172  0.674361  0.436381  1
  Ag  Ag86  1  0.151743  0.528261  0.457035  1
  Ag  Ag87  1  0.556655  0.820868  0.414997  1
  Ag  Ag88  1  0.839765  0.343260  0.412186  1
  Ag  Ag89  1  0.137889  0.196253  0.432853  1
  Ag  Ag90  1  0.434758  0.051494  0.453472  1
  Ag  Ag91  1  0.584645  0.977069  0.464048  1
  Ag  Ag92  1  0.990094  0.270109  0.422617  1
  Ag  Ag93  1  0.287651  0.123116  0.443017  1
  Ag  Ag94  1  0.638666  0.192956  0.433070  1
  Ag  Ag95  1  0.936242  0.045895  0.454137  1
  Ag  Ag96  1  0.342161  0.336949  0.411620  1
  Ag  Ag97  1  0.545409  0.084411  0.519889  1
  Ag  Ag98  1  0.950395  0.377033  0.478395  1
  Ag  Ag99  1  0.247792  0.230912  0.498934  1
  Ag  Ag100  1  0.800433  0.451129  0.467908  1
  Ag  Ag101  1  0.097817  0.304608  0.488655  1
  Ag  Ag102  1  0.395229  0.158780  0.509300  1
  Ag  Ag103  1  0.746346  0.236034  0.499014  1
  Ag  Ag104  1  0.043461  0.090298  0.519952  1
  Ag  Ag105  1  0.449009  0.382606  0.477732  1
  Ag  Ag106  1  0.731889  0.905142  0.474737  1
  Ag  Ag107  1  0.029506  0.758641  0.495692  1
  Ag  Ag108  1  0.326903  0.612520  0.516231  1
  Ag  Ag109  1  0.476865  0.538424  0.526718  1
  Ag  Ag110  1  0.882069  0.830773  0.485326  1
  Ag  Ag111  1  0.179481  0.684945  0.505971  1
  Ag  Ag112  1  0.530952  0.753519  0.495612  1
  Ag  Ag113  1  0.828289  0.606947  0.516894  1
  Ag  Ag114  1  0.233837  0.899255  0.474674  1
  Ag  Ag115  1  0.437533  0.646293  0.582441  1
  Ag  Ag116  1  0.842540  0.938059  0.541155  1
  Ag  Ag117  1  0.139409  0.793300  0.561774  1
  Ag  Ag118  1  0.692653  0.012484  0.530578  1
  Ag  Ag119  1  0.989647  0.866437  0.551609  1
  Ag  Ag120  1  0.287204  0.719444  0.572009  1
  Ag  Ag121  1  0.638632  0.796597  0.561556  1
  Ag  Ag122  1  0.935137  0.652604  0.583006  1
  Ag  Ag123  1  0.341056  0.943657  0.540490  1
  Ag  Ag124  1  0.624135  0.466218  0.537342  1
  Ag  Ag125  1  0.921420  0.320302  0.558667  1
  Ag  Ag126  1  0.218867  0.173356  0.579019  1
  Ag  Ag127  1  0.369180  0.100014  0.589312  1
  Ag  Ag128  1  0.774307  0.391602  0.548055  1
  Ag  Ag129  1  0.071110  0.247249  0.568914  1
  Ag  Ag130  1  0.423126  0.315192  0.558246  1
  Ag  Ag131  1  0.720643  0.168685  0.579629  1
  Ag  Ag132  1  0.125555  0.461292  0.537591  1
  Ag  Ag133  1  0.329856  0.204674  0.644808  1
  Ag  Ag134  1  0.735116  0.498451  0.603946  1
  Ag  Ag135  1  0.031463  0.354769  0.624784  1
  Ag  Ag136  1  0.584763  0.573687  0.593152  1
  Ag  Ag137  1  0.881820  0.427577  0.614685  1
  Ag  Ag138  1  0.179341  0.281683  0.634945  1
  Ag  Ag139  1  0.529168  0.363818  0.624518  1
  Ag  Ag140  1  0.827671  0.212594  0.646035  1
  Ag  Ag141  1  0.232739  0.504336  0.603036  1
  Ag  Ag142  1  0.516393  0.028204  0.599885  1
  Ag  Ag143  1  0.812690  0.883003  0.621699  1
  Ag  Ag144  1  0.111200  0.732849  0.642213  1
  Ag  Ag145  1  0.261001  0.660754  0.651152  1
  Ag  Ag146  1  0.665945  0.954137  0.610231  1
  Ag  Ag147  1  0.963065  0.808910  0.632063  1
  Ag  Ag148  1  0.315796  0.875155  0.620689  1
  Ag  Ag149  1  0.613166  0.726991  0.641878  1
  Ag  Ag150  1  0.017736  0.022124  0.600710  1
  Ag  Ag151  1  0.228480  0.769373  0.706284  1
  Ag  Ag152  1  0.626286  0.063913  0.664973  1
  Ag  Ag153  1  0.927086  0.911680  0.688063  1
  Ag  Ag154  1  0.475948  0.137201  0.655107  1
  Ag  Ag155  1  0.775859  0.985882  0.677997  1
  Ag  Ag156  1  0.075647  0.835710  0.697959  1
  Ag  Ag157  1  0.419124  0.931180  0.688553  1
  Ag  Ag158  1  0.713610  0.780378  0.707245  1
  Ag  Ag159  1  0.125561  0.062696  0.665517  1
  Ag  Ag160  1  0.406446  0.598332  0.663773  1
  Ag  Ag161  1  0.704965  0.441474  0.684333  1
  Ag  Ag162  1  0.005139  0.293808  0.703543  1
  Ag  Ag163  1  0.152666  0.225813  0.712540  1
  Ag  Ag164  1  0.554610  0.524864  0.673639  1
  Ag  Ag165  1  0.854249  0.371645  0.694292  1
  Ag  Ag166  1  0.211949  0.433522  0.684178  1
  Ag  Ag167  1  0.503794  0.285754  0.704011  1
  Ag  Ag168  1  0.909618  0.584397  0.663319  1
