# generated using pymatgen
data_CuAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49972010
_cell_length_b   15.04416952
_cell_length_c   48.33650760
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.38902988
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg3
_chemical_formula_sum   'Cu30 Ag90'
_cell_volume   3933.73636848
_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  0.237224  0.720038  0.295122  1
  Cu  Cu2  1  0.247500  0.396781  0.285942  1
  Cu  Cu3  1  0.872648  0.130015  0.333842  1
  Cu  Cu4  1  0.379638  0.639639  0.332185  1
  Cu  Cu5  1  0.932070  0.241086  0.297184  1
  Cu  Cu6  1  0.893030  0.975233  0.346339  1
  Cu  Cu7  1  0.052819  0.885744  0.384002  1
  Cu  Cu8  1  0.309583  0.552828  0.371534  1
  Cu  Cu9  1  0.803024  0.337922  0.416923  1
  Cu  Cu10  1  0.256486  0.810707  0.422734  1
  Cu  Cu11  1  0.993200  0.407207  0.375065  1
  Cu  Cu12  1  0.290436  0.142795  0.436122  1
  Cu  Cu13  1  0.185979  0.061329  0.477585  1
  Cu  Cu14  1  0.229689  0.727568  0.464160  1
  Cu  Cu15  1  0.712197  0.474708  0.515544  1
  Cu  Cu16  1  0.329400  0.970683  0.512515  1
  Cu  Cu17  1  0.803652  0.557117  0.474649  1
  Cu  Cu18  1  0.288252  0.304707  0.525918  1
  Cu  Cu19  1  0.261166  0.221230  0.567311  1
  Cu  Cu20  1  0.226652  0.889231  0.553980  1
  Cu  Cu21  1  0.524081  0.624901  0.614991  1
  Cu  Cu22  1  0.465029  0.146369  0.606073  1
  Cu  Cu23  1  0.714243  0.694162  0.573125  1
  Cu  Cu24  1  0.207817  0.479282  0.618528  1
  Cu  Cu25  1  0.137820  0.392484  0.657872  1
  Cu  Cu26  1  0.624018  0.056780  0.643755  1
  Cu  Cu27  1  0.585106  0.790934  0.692912  1
  Cu  Cu28  1  0.280482  0.312119  0.694947  1
  Cu  Cu29  1  0.644635  0.901867  0.656238  1
  Cu  Cu30  1  0.269978  0.635416  0.704142  1
  Ag  Ag31  1  0.031112  0.828149  0.332332  1
  Ag  Ag32  1  0.061626  0.488321  0.325761  1
  Ag  Ag33  1  0.609296  0.085720  0.289045  1
  Ag  Ag34  1  0.522791  0.812129  0.329472  1
  Ag  Ag35  1  0.563894  0.483266  0.327721  1
  Ag  Ag36  1  0.118251  0.084327  0.291539  1
  Ag  Ag37  1  0.872872  0.646836  0.326858  1
  Ag  Ag38  1  0.431822  0.247210  0.286134  1
  Ag  Ag39  1  0.398390  0.981178  0.335270  1
  Ag  Ag40  1  0.432827  0.574496  0.282272  1
  Ag  Ag41  1  0.230012  0.323961  0.332971  1
  Ag  Ag42  1  0.281781  0.900018  0.284677  1
  Ag  Ag43  1  0.933116  0.581153  0.274471  1
  Ag  Ag44  1  0.721757  0.316799  0.337357  1
  Ag  Ag45  1  0.793737  0.927000  0.293003  1
  Ag  Ag46  1  0.762386  0.746801  0.282325  1
  Ag  Ag47  1  0.767774  0.401642  0.283754  1
  Ag  Ag48  1  0.379454  0.159217  0.337838  1
  Ag  Ag49  1  0.911716  0.992743  0.430519  1
  Ag  Ag50  1  0.938755  0.647954  0.426485  1
  Ag  Ag51  1  0.492202  0.225263  0.389864  1
  Ag  Ag52  1  0.411737  0.988700  0.426294  1
  Ag  Ag53  1  0.443912  0.653018  0.418638  1
  Ag  Ag54  1  0.008183  0.235837  0.377443  1
  Ag  Ag55  1  0.777524  0.811063  0.422934  1
  Ag  Ag56  1  0.467707  0.401416  0.379671  1
  Ag  Ag57  1  0.832038  0.166046  0.426808  1
  Ag  Ag58  1  0.700667  0.724816  0.372522  1
  Ag  Ag59  1  0.128113  0.489888  0.419208  1
  Ag  Ag60  1  0.167840  0.063672  0.384018  1
  Ag  Ag61  1  0.192707  0.720309  0.374653  1
  Ag  Ag62  1  0.616488  0.482876  0.429860  1
  Ag  Ag63  1  0.669506  0.070352  0.379779  1
  Ag  Ag64  1  0.536003  0.886700  0.381582  1
  Ag  Ag65  1  0.821577  0.556872  0.377613  1
  Ag  Ag66  1  0.265855  0.319157  0.428536  1
  Ag  Ag67  1  0.938728  0.143958  0.523593  1
  Ag  Ag68  1  0.915182  0.789102  0.522273  1
  Ag  Ag69  1  0.427559  0.394922  0.479069  1
  Ag  Ag70  1  0.441998  0.151638  0.519270  1
  Ag  Ag71  1  0.422440  0.801301  0.513337  1
  Ag  Ag72  1  0.944480  0.403705  0.467401  1
  Ag  Ag73  1  0.835194  0.960960  0.514593  1
  Ag  Ag74  1  0.318893  0.563461  0.468622  1
  Ag  Ag75  1  0.807035  0.314152  0.517215  1
  Ag  Ag76  1  0.578226  0.887938  0.466374  1
  Ag  Ag77  1  0.089211  0.637231  0.510965  1
  Ag  Ag78  1  0.601947  0.243028  0.467806  1
  Ag  Ag79  1  0.074629  0.880541  0.470772  1
  Ag  Ag80  1  0.572529  0.628449  0.522650  1
  Ag  Ag81  1  0.094535  0.230817  0.476730  1
  Ag  Ag82  1  0.680153  0.070971  0.475409  1
  Ag  Ag83  1  0.710712  0.717917  0.472871  1
  Ag  Ag84  1  0.197587  0.468682  0.521441  1
  Ag  Ag85  1  0.816882  0.307150  0.617566  1
  Ag  Ag86  1  0.349411  0.968539  0.606027  1
  Ag  Ag87  1  0.389287  0.542009  0.570830  1
  Ag  Ag88  1  0.324600  0.311750  0.615419  1
  Ag  Ag89  1  0.847006  0.961680  0.610300  1
  Ag  Ag90  1  0.901063  0.549172  0.560217  1
  Ag  Ag91  1  0.981781  0.145390  0.608526  1
  Ag  Ag92  1  0.251369  0.712901  0.561530  1
  Ag  Ag93  1  0.695846  0.475278  0.612485  1
  Ag  Ag94  1  0.604524  0.039216  0.559503  1
  Ag  Ag95  1  0.024814  0.806773  0.600200  1
  Ag  Ag96  1  0.578787  0.383958  0.563648  1
  Ag  Ag97  1  0.104351  0.043230  0.563723  1
  Ag  Ag98  1  0.508740  0.796217  0.612629  1
  Ag  Ag99  1  0.074207  0.379078  0.571401  1
  Ag  Ag100  1  0.740368  0.220905  0.567117  1
  Ag  Ag101  1  0.684904  0.866179  0.563286  1
  Ag  Ag102  1  0.049589  0.630708  0.610399  1
  Ag  Ag103  1  0.085476  0.457698  0.707796  1
  Ag  Ag104  1  0.235642  0.132121  0.705410  1
  Ag  Ag105  1  0.287465  0.708197  0.657098  1
  Ag  Ag106  1  0.585107  0.450945  0.715590  1
  Ag  Ag107  1  0.723740  0.105153  0.697073  1
  Ag  Ag108  1  0.795317  0.715315  0.652708  1
  Ag  Ag109  1  0.755635  0.285362  0.707731  1
  Ag  Ag110  1  0.137755  0.872781  0.652213  1
  Ag  Ag111  1  0.749717  0.630598  0.706324  1
  Ag  Ag112  1  0.486748  0.203836  0.657730  1
  Ag  Ag113  1  0.907725  0.946348  0.701044  1
  Ag  Ag114  1  0.455635  0.543756  0.664301  1
  Ag  Ag115  1  0.994215  0.219973  0.660568  1
  Ag  Ag116  1  0.399029  0.947916  0.698487  1
  Ag  Ag117  1  0.953576  0.548746  0.662372  1
  Ag  Ag118  1  0.644700  0.385232  0.663185  1
  Ag  Ag119  1  0.118735  0.050928  0.654835  1
  Ag  Ag120  1  0.085460  0.784893  0.703938  1
