# generated using pymatgen
data_CuAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49670000
_cell_length_b   9.88298011
_cell_length_c   50.24767161
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.03894360
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg3
_chemical_formula_sum   'Cu20 Ag60'
_cell_volume   2637.11253918
_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  0.236161  0.517842  0.288219  1
  Cu  Cu2  1  0.464512  0.071546  0.262315  1
  Cu  Cu3  1  0.889400  0.237451  0.303790  1
  Cu  Cu4  1  0.118283  0.759389  0.274855  1
  Cu  Cu5  1  0.810221  0.380775  0.378073  1
  Cu  Cu6  1  0.041710  0.915680  0.348040  1
  Cu  Cu7  1  0.458022  0.094169  0.394611  1
  Cu  Cu8  1  0.691145  0.628979  0.364689  1
  Cu  Cu9  1  0.380948  0.237351  0.469405  1
  Cu  Cu10  1  0.613844  0.772352  0.439410  1
  Cu  Cu11  1  0.029444  0.950378  0.486043  1
  Cu  Cu12  1  0.262340  0.485379  0.456048  1
  Cu  Cu13  1  0.952144  0.093751  0.560764  1
  Cu  Cu14  1  0.185266  0.628561  0.530842  1
  Cu  Cu15  1  0.601578  0.807050  0.577414  1
  Cu  Cu16  1  0.833067  0.341955  0.547381  1
  Cu  Cu17  1  0.525005  0.963341  0.650599  1
  Cu  Cu18  1  0.753888  0.485280  0.621664  1
  Cu  Cu19  1  0.178776  0.651184  0.663138  1
  Cu  Cu20  1  0.407127  0.204888  0.637235  1
  Ag  Ag21  1  0.109675  0.309584  0.256276  1
  Ag  Ag22  1  0.889754  0.713156  0.317352  1
  Ag  Ag23  1  0.619328  0.297898  0.255938  1
  Ag  Ag24  1  0.398061  0.711418  0.316489  1
  Ag  Ag25  1  0.385090  0.248076  0.302937  1
  Ag  Ag26  1  0.598656  0.801024  0.269838  1
  Ag  Ag27  1  0.448712  0.583113  0.243472  1
  Ag  Ag28  1  0.252974  0.990291  0.302908  1
  Ag  Ag29  1  0.944459  0.592579  0.242392  1
  Ag  Ag30  1  0.756835  0.992046  0.302979  1
  Ag  Ag31  1  0.749111  0.500706  0.287586  1
  Ag  Ag32  1  -0.011420  1.029760  0.255382  1
  Ag  Ag33  1  0.673361  0.162613  0.348549  1
  Ag  Ag34  1  0.465350  0.570367  0.409052  1
  Ag  Ag35  1  0.174719  0.160412  0.348088  1
  Ag  Ag36  1  0.968993  0.568239  0.408386  1
  Ag  Ag37  1  0.954796  0.102798  0.394384  1
  Ag  Ag38  1  0.181272  0.651523  0.363323  1
  Ag  Ag39  1  0.035218  0.439929  0.333702  1
  Ag  Ag40  1  0.828018  0.846778  0.393844  1
  Ag  Ag41  1  0.532876  0.442084  0.334262  1
  Ag  Ag42  1  0.327026  0.849962  0.394594  1
  Ag  Ag43  1  0.320639  0.359184  0.379066  1
  Ag  Ag44  1  0.545304  0.906624  0.348109  1
  Ag  Ag45  1  0.243346  1.019616  0.440174  1
  Ag  Ag46  1  0.036492  0.426080  0.500494  1
  Ag  Ag47  1  0.744145  1.016820  0.439394  1
  Ag  Ag48  1  0.539492  0.424624  0.499899  1
  Ag  Ag49  1  0.526925  0.958933  0.485838  1
  Ag  Ag50  1  0.752728  0.507290  0.454961  1
  Ag  Ag51  1  0.606796  0.296651  0.424960  1
  Ag  Ag52  1  0.399942  0.703115  0.485279  1
  Ag  Ag53  1  0.103796  0.298106  0.425554  1
  Ag  Ag54  1  0.899143  0.705910  0.486060  1
  Ag  Ag55  1  0.890560  0.215441  0.470493  1
  Ag  Ag56  1  0.116363  0.763798  0.439615  1
  Ag  Ag57  1  0.815270  0.875952  0.531610  1
  Ag  Ag58  1  0.608070  0.282801  0.591751  1
  Ag  Ag59  1  0.316263  0.872768  0.530859  1
  Ag  Ag60  1  0.110412  0.280647  0.591191  1
  Ag  Ag61  1  0.097984  0.816106  0.577344  1
  Ag  Ag62  1  0.322649  0.363546  0.546388  1
  Ag  Ag63  1  0.177938  0.152363  0.516401  1
  Ag  Ag64  1  0.969927  0.560117  0.576905  1
  Ag  Ag65  1  0.674295  0.154491  0.517067  1
  Ag  Ag66  1  0.468570  0.562318  0.577365  1
  Ag  Ag67  1  0.462016  0.071207  0.562131  1
  Ag  Ag68  1  0.688492  0.619932  0.531070  1
  Ag  Ag69  1  0.390314  0.732439  0.622545  1
  Ag  Ag70  1  0.194576  0.139617  0.681981  1
  Ag  Ag71  1  0.886453  0.730684  0.622474  1
  Ag  Ag72  1  0.698829  0.130151  0.683061  1
  Ag  Ag73  1  0.654708  0.692970  0.670072  1
  Ag  Ag74  1  0.894177  0.222024  0.637867  1
  Ag  Ag75  1  0.753534  1.009574  0.608101  1
  Ag  Ag76  1  0.533613  0.413146  0.669177  1
  Ag  Ag77  1  0.245227  1.011312  0.608964  1
  Ag  Ag78  1  0.023960  0.424832  0.669515  1
  Ag  Ag79  1  0.044632  0.921706  0.655615  1
  Ag  Ag80  1  0.258198  0.474654  0.622517  1
