# generated using pymatgen
data_CuAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49480069
_cell_length_b   9.82197257
_cell_length_c   53.29837444
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg3
_chemical_formula_sum   'Cu20 Ag60'
_cell_volume   2876.5016304
_cell_formula_units_Z   20
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  1.001089  0.074454  0.285475  1
  Cu  Cu2  1  0.501089  0.676075  0.322310  1
  Cu  Cu3  1  0.501089  0.787978  0.283006  1
  Cu  Cu4  1  1.001089  0.401039  0.316271  1
  Cu  Cu5  1  1.001089  0.286084  0.361364  1
  Cu  Cu6  1  0.501089  0.889667  0.402745  1
  Cu  Cu7  1  0.501089  1.006934  0.359450  1
  Cu  Cu8  1  1.001089  0.612681  0.400074  1
  Cu  Cu9  1  1.001089  0.494605  0.443976  1
  Cu  Cu10  1  0.501089  0.098533  0.485575  1
  Cu  Cu11  1  0.501089  0.216119  0.441817  1
  Cu  Cu12  1  1.001089  0.820047  0.483415  1
  Cu  Cu13  1  1.001089  0.701970  0.527318  1
  Cu  Cu14  1  0.501089  0.307718  0.567942  1
  Cu  Cu15  1  0.501089  0.424985  0.524647  1
  Cu  Cu16  1  1.001089  1.028568  0.566027  1
  Cu  Cu17  1  1.001089  0.913612  0.611120  1
  Cu  Cu18  1  0.501089  0.526674  0.644385  1
  Cu  Cu19  1  0.501089  0.638577  0.605082  1
  Cu  Cu20  1  1.001089  0.240198  0.641917  1
  Ag  Ag21  1  0.747487  0.179844  0.322026  1
  Ag  Ag22  1  0.248209  0.571124  0.278078  1
  Ag  Ag23  1  0.254691  0.179844  0.322026  1
  Ag  Ag24  1  0.753970  0.571124  0.278078  1
  Ag  Ag25  1  1.001089  0.818671  0.273251  1
  Ag  Ag26  1  0.501089  0.418901  0.313795  1
  Ag  Ag27  1  0.752493  0.906823  0.316949  1
  Ag  Ag28  1  0.251389  0.294717  0.273890  1
  Ag  Ag29  1  0.249686  0.906823  0.316949  1
  Ag  Ag30  1  0.750789  0.294717  0.273890  1
  Ag  Ag31  1  0.501089  0.050076  0.279317  1
  Ag  Ag32  1  1.001089  0.663727  0.320669  1
  Ag  Ag33  1  0.750961  0.388248  0.404028  1
  Ag  Ag34  1  0.248976  0.781354  0.363094  1
  Ag  Ag35  1  0.251218  0.388248  0.404028  1
  Ag  Ag36  1  0.753202  0.781354  0.363094  1
  Ag  Ag37  1  1.001089  1.023720  0.357198  1
  Ag  Ag38  1  0.501089  0.627172  0.397920  1
  Ag  Ag39  1  0.751347  0.115207  0.399065  1
  Ag  Ag40  1  0.251648  0.509554  0.356330  1
  Ag  Ag41  1  0.250831  0.115207  0.399065  1
  Ag  Ag42  1  0.750531  0.509554  0.356330  1
  Ag  Ag43  1  0.501089  0.270421  0.363860  1
  Ag  Ag44  1  1.001089  0.874705  0.405188  1
  Ag  Ag45  1  0.750222  0.595691  0.487219  1
  Ag  Ag46  1  0.250391  0.991511  0.445921  1
  Ag  Ag47  1  0.251956  0.595691  0.487219  1
  Ag  Ag48  1  0.751787  0.991511  0.445921  1
  Ag  Ag49  1  1.001089  0.232527  0.439400  1
  Ag  Ag50  1  0.501089  0.836329  0.481084  1
  Ag  Ag51  1  0.751787  0.323140  0.481470  1
  Ag  Ag52  1  0.251956  0.718961  0.440172  1
  Ag  Ag53  1  0.250391  0.323140  0.481470  1
  Ag  Ag54  1  0.750222  0.718961  0.440172  1
  Ag  Ag55  1  0.501089  0.478323  0.446308  1
  Ag  Ag56  1  1.001089  0.082125  0.487992  1
  Ag  Ag57  1  0.750531  0.805098  0.571062  1
  Ag  Ag58  1  0.250831  0.199445  0.528327  1
  Ag  Ag59  1  0.251648  0.805098  0.571062  1
  Ag  Ag60  1  0.751347  0.199445  0.528327  1
  Ag  Ag61  1  1.001089  0.439947  0.522203  1
  Ag  Ag62  1  0.501089  0.044231  0.563531  1
  Ag  Ag63  1  0.753202  0.533298  0.564298  1
  Ag  Ag64  1  0.251218  0.926404  0.523363  1
  Ag  Ag65  1  0.248976  0.533298  0.564298  1
  Ag  Ag66  1  0.750961  0.926404  0.523363  1
  Ag  Ag67  1  0.501089  0.687480  0.529471  1
  Ag  Ag68  1  1.001089  0.290932  0.570194  1
  Ag  Ag69  1  0.750789  1.019935  0.653501  1
  Ag  Ag70  1  0.249686  0.407828  0.610443  1
  Ag  Ag71  1  0.251389  1.019935  0.653501  1
  Ag  Ag72  1  0.752493  0.407828  0.610443  1
  Ag  Ag73  1  1.001089  0.650925  0.606722  1
  Ag  Ag74  1  0.501089  0.264576  0.648075  1
  Ag  Ag75  1  0.753970  0.743527  0.649313  1
  Ag  Ag76  1  0.254691  0.134808  0.605365  1
  Ag  Ag77  1  0.248209  0.743527  0.649313  1
  Ag  Ag78  1  0.747487  0.134808  0.605365  1
  Ag  Ag79  1  0.501089  0.895751  0.613597  1
  Ag  Ag80  1  1.001089  0.495981  0.654140  1
