# generated using pymatgen
data_CuAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.60816459
_cell_length_b   15.48240403
_cell_length_c   48.42785130
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.40507168
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg3
_chemical_formula_sum   'Cu30 Ag90'
_cell_volume   4135.73985861
_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  0.929079  0.853307  0.290274  1
  Cu  Cu2  1  0.275369  0.545780  0.318891  1
  Cu  Cu3  1  0.623850  0.242850  0.347908  1
  Cu  Cu4  1  0.397911  0.791113  0.342577  1
  Cu  Cu5  1  0.699571  0.394624  0.286389  1
  Cu  Cu6  1  0.050120  0.095639  0.314437  1
  Cu  Cu7  1  0.971168  0.937496  0.379124  1
  Cu  Cu8  1  0.319170  0.633389  0.408727  1
  Cu  Cu9  1  0.667329  0.329705  0.439745  1
  Cu  Cu10  1  0.442171  0.879547  0.434390  1
  Cu  Cu11  1  0.746647  0.488592  0.373240  1
  Cu  Cu12  1  0.094694  0.184647  0.404499  1
  Cu  Cu13  1  0.015206  0.025439  0.470104  1
  Cu  Cu14  1  0.363078  0.721112  0.500000  1
  Cu  Cu15  1  0.711301  0.417537  0.530879  1
  Cu  Cu16  1  0.486450  0.967970  0.525481  1
  Cu  Cu17  1  0.790355  0.575872  0.464706  1
  Cu  Cu18  1  0.138578  0.272296  0.495586  1
  Cu  Cu19  1  0.059485  0.113862  0.561195  1
  Cu  Cu20  1  0.406962  0.808762  0.591086  1
  Cu  Cu21  1  0.755009  0.504817  0.622345  1
  Cu  Cu22  1  0.530488  0.055912  0.616461  1
  Cu  Cu23  1  0.834327  0.663704  0.555840  1
  Cu  Cu24  1  0.182486  0.360020  0.586858  1
  Cu  Cu25  1  0.103745  0.202296  0.653008  1
  Cu  Cu26  1  0.451536  0.897770  0.681148  1
  Cu  Cu27  1  0.802085  0.598785  0.709196  1
  Cu  Cu28  1  0.572577  0.140102  0.705311  1
  Cu  Cu29  1  0.877806  0.750558  0.647677  1
  Cu  Cu30  1  0.226287  0.447628  0.676694  1
  Ag  Ag31  1  0.725323  0.944131  0.329120  1
  Ag  Ag32  1  0.072805  0.638856  0.357608  1
  Ag  Ag33  1  0.373735  0.246556  0.297001  1
  Ag  Ag34  1  0.223392  0.944119  0.329124  1
  Ag  Ag35  1  0.570704  0.638847  0.357613  1
  Ag  Ag36  1  0.877373  0.246523  0.297011  1
  Ag  Ag37  1  0.898435  0.792188  0.343134  1
  Ag  Ag38  1  0.205632  0.406834  0.284255  1
  Ag  Ag39  1  0.551787  0.099009  0.314377  1
  Ag  Ag40  1  0.600047  0.697723  0.302135  1
  Ag  Ag41  1  0.948010  0.394071  0.333838  1
  Ag  Ag42  1  0.251617  0.005125  0.274687  1
  Ag  Ag43  1  0.102638  0.697723  0.302133  1
  Ag  Ag44  1  0.450881  0.394084  0.333832  1
  Ag  Ag45  1  0.758199  0.005110  0.274684  1
  Ag  Ag46  1  0.427884  0.850938  0.287988  1
  Ag  Ag47  1  0.774331  0.543687  0.315897  1
  Ag  Ag48  1  0.122771  0.240655  0.347960  1
  Ag  Ag49  1  0.770461  0.031780  0.419721  1
  Ag  Ag50  1  0.117938  0.727006  0.449241  1
  Ag  Ag51  1  0.422092  0.335419  0.388948  1
  Ag  Ag52  1  0.265980  0.031769  0.419728  1
  Ag  Ag53  1  0.613801  0.726994  0.449247  1
  Ag  Ag54  1  0.917954  0.335407  0.388954  1
  Ag  Ag55  1  0.942629  0.880488  0.434277  1
  Ag  Ag56  1  0.247164  0.489640  0.374063  1
  Ag  Ag57  1  0.595214  0.185708  0.404647  1
  Ag  Ag58  1  0.642741  0.785166  0.393521  1
  Ag  Ag59  1  0.990997  0.481952  0.424377  1
  Ag  Ag60  1  0.295742  0.090980  0.364413  1
  Ag  Ag61  1  0.147407  0.785176  0.393515  1
  Ag  Ag62  1  0.495995  0.481964  0.424370  1
  Ag  Ag63  1  0.800156  0.090998  0.364405  1
  Ag  Ag64  1  0.470649  0.936443  0.379277  1
  Ag  Ag65  1  0.818467  0.631970  0.408528  1
  Ag  Ag66  1  0.166798  0.328622  0.439617  1
  Ag  Ag67  1  0.814482  0.119874  0.510720  1
  Ag  Ag68  1  0.162179  0.815080  0.540419  1
  Ag  Ag69  1  0.466320  0.423546  0.480112  1
  Ag  Ag70  1  0.310190  0.119864  0.510726  1
  Ag  Ag71  1  0.657743  0.815069  0.540426  1
  Ag  Ag72  1  0.961973  0.423535  0.480118  1
  Ag  Ag73  1  0.986883  0.968861  0.525429  1
  Ag  Ag74  1  0.290870  0.576921  0.464826  1
  Ag  Ag75  1  0.639115  0.273390  0.495694  1
  Ag  Ag76  1  0.687174  0.873535  0.484865  1
  Ag  Ag77  1  0.035336  0.569863  0.515473  1
  Ag  Ag78  1  0.339477  0.178329  0.455166  1
  Ag  Ag79  1  0.191466  0.873545  0.484859  1
  Ag  Ag80  1  0.539683  0.569874  0.515467  1
  Ag  Ag81  1  0.843913  0.178340  0.455159  1
  Ag  Ag82  1  0.514773  0.024548  0.470156  1
  Ag  Ag83  1  0.862540  0.720019  0.499892  1
  Ag  Ag84  1  0.210786  0.416488  0.530759  1
  Ag  Ag85  1  0.858915  0.208243  0.602064  1
  Ag  Ag86  1  0.205914  0.902429  0.631172  1
  Ag  Ag87  1  0.510659  0.511457  0.571208  1
  Ag  Ag88  1  0.354249  0.208233  0.602070  1
  Ag  Ag89  1  0.701500  0.902410  0.631180  1
  Ag  Ag90  1  0.005661  0.511445  0.571215  1
  Ag  Ag91  1  0.031007  0.056966  0.616308  1
  Ag  Ag92  1  0.334858  0.664786  0.555968  1
  Ag  Ag93  1  0.683188  0.361439  0.587057  1
  Ag  Ag94  1  0.731195  0.961629  0.575864  1
  Ag  Ag95  1  0.079564  0.657990  0.606637  1
  Ag  Ag96  1  0.383718  0.266403  0.546344  1
  Ag  Ag97  1  0.235676  0.961640  0.575857  1
  Ag  Ag98  1  0.583702  0.658002  0.606631  1
  Ag  Ag99  1  0.887855  0.266415  0.546338  1
  Ag  Ag100  1  0.559027  0.112921  0.561308  1
  Ag  Ag101  1  0.906442  0.807701  0.590938  1
  Ag  Ag102  1  0.254492  0.503769  0.621522  1
  Ag  Ag103  1  0.901609  0.295686  0.693450  1
  Ag  Ag104  1  0.250039  0.988284  0.720898  1
  Ag  Ag105  1  0.553646  0.599338  0.661747  1
  Ag  Ag106  1  0.399017  0.295686  0.693452  1
  Ag  Ag107  1  0.743457  0.988299  0.720901  1
  Ag  Ag108  1  0.050775  0.599325  0.661753  1
  Ag  Ag109  1  0.073772  0.142470  0.707597  1
  Ag  Ag110  1  0.378885  0.752754  0.647625  1
  Ag  Ag111  1  0.727325  0.449722  0.679688  1
  Ag  Ag112  1  0.776333  0.049277  0.666465  1
  Ag  Ag113  1  0.127921  0.746852  0.698584  1
  Ag  Ag114  1  0.428851  0.354553  0.637977  1
  Ag  Ag115  1  0.278264  0.049290  0.666461  1
  Ag  Ag116  1  0.624283  0.746886  0.698574  1
  Ag  Ag117  1  0.930952  0.354562  0.637972  1
  Ag  Ag118  1  0.603220  0.201221  0.652451  1
  Ag  Ag119  1  0.949869  0.894399  0.681208  1
  Ag  Ag120  1  0.296024  0.586575  0.711330  1
