# generated using pymatgen
data_CuAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51163544
_cell_length_b   14.34724734
_cell_length_c   51.11060958
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.74685249
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg3
_chemical_formula_sum   'Cu30 Ag90'
_cell_volume   3970.77512049
_cell_formula_units_Z   30
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  0.911176  0.812714  0.303177  1
  Cu  Cu2  1  0.059577  0.123528  0.318310  1
  Cu  Cu3  1  0.751941  0.499101  0.285853  1
  Cu  Cu4  1  0.312109  0.626363  0.323251  1
  Cu  Cu5  1  0.994306  0.980172  0.285989  1
  Cu  Cu6  1  0.138725  0.286362  0.303295  1
  Cu  Cu7  1  0.376951  0.748754  0.393014  1
  Cu  Cu8  1  0.527948  0.060733  0.408780  1
  Cu  Cu9  1  0.210838  0.421363  0.372345  1
  Cu  Cu10  1  0.777976  0.557172  0.413950  1
  Cu  Cu11  1  0.460713  0.918499  0.376688  1
  Cu  Cu12  1  0.610826  0.228746  0.393043  1
  Cu  Cu13  1  0.842320  0.680211  0.484502  1
  Cu  Cu14  1  0.993208  0.991390  0.500831  1
  Cu  Cu15  1  0.675659  0.352319  0.463830  1
  Cu  Cu16  1  0.243231  0.488075  0.505506  1
  Cu  Cu17  1  0.925682  0.849004  0.468505  1
  Cu  Cu18  1  0.076570  0.160183  0.484834  1
  Cu  Cu19  1  0.308063  0.611648  0.576293  1
  Cu  Cu20  1  0.458177  0.921894  0.592647  1
  Cu  Cu21  1  0.140914  0.283222  0.555386  1
  Cu  Cu22  1  0.708051  0.419031  0.596991  1
  Cu  Cu23  1  0.390941  0.779661  0.560556  1
  Cu  Cu24  1  0.541938  0.091640  0.576322  1
  Cu  Cu25  1  0.780165  0.554031  0.666041  1
  Cu  Cu26  1  0.924583  0.860222  0.683347  1
  Cu  Cu27  1  0.606781  0.214031  0.646085  1
  Cu  Cu28  1  0.166949  0.341293  0.683483  1
  Cu  Cu29  1  0.859312  0.716866  0.651026  1
  Cu  Cu30  1  0.007714  0.027680  0.666159  1
  Ag  Ag31  1  0.571264  0.652972  0.275886  1
  Ag  Ag32  1  0.725887  0.955002  0.327129  1
  Ag  Ag33  1  0.879828  0.273100  0.345378  1
  Ag  Ag34  1  0.077421  0.655669  0.275950  1
  Ag  Ag35  1  0.235901  0.954544  0.327385  1
  Ag  Ag36  1  0.386492  0.275076  0.345511  1
  Ag  Ag37  1  0.815359  0.632613  0.322425  1
  Ag  Ag38  1  0.500838  0.992641  0.279462  1
  Ag  Ag39  1  0.651821  0.317392  0.297445  1
  Ag  Ag40  1  0.175232  0.842417  0.257746  1
  Ag  Ag41  1  0.326750  0.162447  0.273523  1
  Ag  Ag42  1  0.477945  0.459219  0.326906  1
  Ag  Ag43  1  0.678424  0.840463  0.258071  1
  Ag  Ag44  1  0.829275  0.164796  0.273531  1
  Ag  Ag45  1  0.981679  0.456791  0.326766  1
  Ag  Ag46  1  0.403843  0.800262  0.302803  1
  Ag  Ag47  1  0.561142  0.127944  0.319457  1
  Ag  Ag48  1  0.235610  0.468531  0.279785  1
  Ag  Ag49  1  0.044515  0.588951  0.367837  1
  Ag  Ag50  1  0.192964  0.886345  0.419463  1
  Ag  Ag51  1  0.349331  0.204171  0.437358  1
  Ag  Ag52  1  0.544950  0.590660  0.368105  1
  Ag  Ag53  1  0.698070  0.885728  0.419586  1
  Ag  Ag54  1  0.850500  0.205544  0.437610  1
  Ag  Ag55  1  0.279477  0.561278  0.413816  1
  Ag  Ag56  1  0.962767  0.921760  0.373177  1
  Ag  Ag57  1  0.117879  0.245162  0.391541  1
  Ag  Ag58  1  0.639047  0.775431  0.348894  1
  Ag  Ag59  1  0.794359  0.092291  0.365654  1
  Ag  Ag60  1  0.943276  0.389514  0.418366  1
  Ag  Ag61  1  0.139423  0.774000  0.348710  1
  Ag  Ag62  1  0.291318  0.093563  0.365554  1
  Ag  Ag63  1  0.443538  0.387962  0.418099  1
  Ag  Ag64  1  0.870256  0.733727  0.394161  1
  Ag  Ag65  1  0.026629  0.058495  0.412060  1
  Ag  Ag66  1  0.708542  0.416885  0.372341  1
  Ag  Ag67  1  0.510412  0.519880  0.459338  1
  Ag  Ag68  1  0.658336  0.816937  0.511446  1
  Ag  Ag69  1  0.814719  0.134904  0.529128  1
  Ag  Ag70  1  0.009983  0.521381  0.459619  1
  Ag  Ag71  1  0.162961  0.816243  0.511574  1
  Ag  Ag72  1  0.315653  0.136209  0.529376  1
  Ag  Ag73  1  0.744827  0.492382  0.505388  1
  Ag  Ag74  1  0.427248  0.851673  0.465216  1
  Ag  Ag75  1  0.583429  0.175990  0.483553  1
  Ag  Ag76  1  0.104171  0.705490  0.440208  1
  Ag  Ag77  1  0.260554  0.023457  0.457890  1
  Ag  Ag78  1  0.408478  0.320514  0.509998  1
  Ag  Ag79  1  0.603237  0.704185  0.439960  1
  Ag  Ag80  1  0.755929  0.024151  0.457762  1
  Ag  Ag81  1  0.908907  0.319013  0.509716  1
  Ag  Ag82  1  0.335460  0.664404  0.485783  1
  Ag  Ag83  1  0.491642  0.988721  0.504120  1
  Ag  Ag84  1  0.174062  0.348012  0.463948  1
  Ag  Ag85  1  0.975613  0.450880  0.550970  1
  Ag  Ag86  1  0.124531  0.748103  0.603682  1
  Ag  Ag87  1  0.279843  0.064962  0.620442  1
  Ag  Ag88  1  0.475352  0.452432  0.551237  1
  Ag  Ag89  1  0.627572  0.746831  0.603782  1
  Ag  Ag90  1  0.779466  0.066394  0.620625  1
  Ag  Ag91  1  0.210348  0.423509  0.596995  1
  Ag  Ag92  1  0.892260  0.781899  0.557275  1
  Ag  Ag93  1  0.048634  0.106667  0.575175  1
  Ag  Ag94  1  0.569559  0.636223  0.531978  1
  Ag  Ag95  1  0.725925  0.954049  0.549873  1
  Ag  Ag96  1  0.874375  0.251443  0.601499  1
  Ag  Ag97  1  0.068389  0.634850  0.531726  1
  Ag  Ag98  1  0.220819  0.954666  0.549750  1
  Ag  Ag99  1  0.373939  0.249734  0.601231  1
  Ag  Ag100  1  0.801010  0.595232  0.577795  1
  Ag  Ag101  1  0.956123  0.918634  0.596159  1
  Ag  Ag102  1  0.639412  0.279115  0.555520  1
  Ag  Ag103  1  0.440945  0.381175  0.642430  1
  Ag  Ag104  1  0.592139  0.677947  0.695813  1
  Ag  Ag105  1  0.743657  0.997976  0.711590  1
  Ag  Ag106  1  0.937210  0.383603  0.642570  1
  Ag  Ag107  1  0.089614  0.675598  0.695805  1
  Ag  Ag108  1  0.240465  0.999931  0.711265  1
  Ag  Ag109  1  0.683280  0.371863  0.689551  1
  Ag  Ag110  1  0.357748  0.712450  0.649878  1
  Ag  Ag111  1  0.515047  0.040132  0.666532  1
  Ag  Ag112  1  0.039061  0.567294  0.623957  1
  Ag  Ag113  1  0.193003  0.885392  0.642207  1
  Ag  Ag114  1  0.347626  0.187422  0.693450  1
  Ag  Ag115  1  0.532397  0.565318  0.623824  1
  Ag  Ag116  1  0.682989  0.885850  0.641951  1
  Ag  Ag117  1  0.841469  0.184724  0.693386  1
  Ag  Ag118  1  0.267069  0.523002  0.671891  1
  Ag  Ag119  1  0.418052  0.847752  0.689873  1
  Ag  Ag120  1  0.103531  0.207781  0.646911  1
