# generated using pymatgen
data_CuAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59101262
_cell_length_b   10.69757491
_cell_length_c   47.79618229
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.84395660
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg3
_chemical_formula_sum   'Cu20 Ag60'
_cell_volume   2759.26963317
_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  0.223660  0.560763  0.332648  1
  Cu  Cu2  1  0.418293  0.171491  0.290889  1
  Cu  Cu3  1  0.858109  0.291812  0.339741  1
  Cu  Cu4  1  0.054334  0.899374  0.297576  1
  Cu  Cu5  1  0.833162  0.341735  0.423989  1
  Cu  Cu6  1  0.028737  0.950592  0.378474  1
  Cu  Cu7  1  0.467180  0.073672  0.431428  1
  Cu  Cu8  1  0.662533  0.682967  0.385902  1
  Cu  Cu9  1  0.442838  0.122382  0.515036  1
  Cu  Cu10  1  0.638068  0.731924  0.469533  1
  Cu  Cu11  1  0.076815  0.854397  0.522479  1
  Cu  Cu12  1  0.272045  0.463938  0.476976  1
  Cu  Cu13  1  0.052351  0.903353  0.606109  1
  Cu  Cu14  1  0.247704  0.512648  0.560583  1
  Cu  Cu15  1  0.686146  0.635728  0.613537  1
  Cu  Cu16  1  0.881721  0.244585  0.568023  1
  Cu  Cu17  1  0.660549  0.686946  0.694436  1
  Cu  Cu18  1  0.856774  0.294509  0.652271  1
  Cu  Cu19  1  0.296590  0.414829  0.701123  1
  Cu  Cu20  1  0.491224  0.025558  0.659364  1
  Ag  Ag21  1  0.053965  0.400110  0.294533  1
  Ag  Ag22  1  0.858168  0.791435  0.340417  1
  Ag  Ag23  1  0.553932  0.400116  0.294536  1
  Ag  Ag24  1  0.358423  0.791438  0.340419  1
  Ag  Ag25  1  0.355415  0.297188  0.340184  1
  Ag  Ag26  1  0.549424  0.909188  0.293550  1
  Ag  Ag27  1  0.416769  0.671070  0.287905  1
  Ag  Ag28  1  0.221483  0.061069  0.333370  1
  Ag  Ag29  1  0.920290  0.671063  0.287904  1
  Ag  Ag30  1  0.725529  0.061066  0.333370  1
  Ag  Ag31  1  0.725469  0.557150  0.333063  1
  Ag  Ag32  1  0.922977  0.162121  0.287526  1
  Ag  Ag33  1  0.664507  0.183083  0.385938  1
  Ag  Ag34  1  0.469373  0.572988  0.431463  1
  Ag  Ag35  1  0.160424  0.183092  0.385939  1
  Ag  Ag36  1  0.965652  0.572998  0.431465  1
  Ag  Ag37  1  0.966227  0.075577  0.431010  1
  Ag  Ag38  1  0.161452  0.685125  0.385436  1
  Ag  Ag39  1  0.025664  0.452117  0.378349  1
  Ag  Ag40  1  0.831247  0.841977  0.423990  1
  Ag  Ag41  1  0.530300  0.452107  0.378346  1
  Ag  Ag42  1  0.334857  0.841968  0.423988  1
  Ag  Ag43  1  0.334163  0.339736  0.424348  1
  Ag  Ag44  1  0.529497  0.949072  0.378976  1
  Ag  Ag45  1  0.274156  0.963442  0.476983  1
  Ag  Ag46  1  0.079021  0.353733  0.522547  1
  Ag  Ag47  1  0.770416  0.963450  0.476985  1
  Ag  Ag48  1  0.575257  0.353741  0.522549  1
  Ag  Ag49  1  0.575797  0.856429  0.522082  1
  Ag  Ag50  1  0.771013  0.465998  0.476585  1
  Ag  Ag51  1  0.635863  0.232587  0.469464  1
  Ag  Ag52  1  0.440728  0.622878  0.515029  1
  Ag  Ag53  1  0.139626  0.232579  0.469463  1
  Ag  Ag54  1  0.944468  0.622870  0.515027  1
  Ag  Ag55  1  0.943870  0.120322  0.515427  1
  Ag  Ag56  1  0.139087  0.729891  0.469930  1
  Ag  Ag57  1  0.883637  0.744343  0.568022  1
  Ag  Ag58  1  0.689220  0.134203  0.613663  1
  Ag  Ag59  1  0.380026  0.744353  0.568024  1
  Ag  Ag60  1  0.184583  0.134214  0.613666  1
  Ag  Ag61  1  0.185386  0.637248  0.613035  1
  Ag  Ag62  1  0.380720  0.246584  0.567664  1
  Ag  Ag63  1  0.245511  0.013333  0.560549  1
  Ag  Ag64  1  0.050377  0.403237  0.606074  1
  Ag  Ag65  1  0.749231  0.013323  0.560546  1
  Ag  Ag66  1  0.554459  0.403229  0.606073  1
  Ag  Ag67  1  0.553432  0.901195  0.606576  1
  Ag  Ag68  1  0.748656  0.510743  0.561002  1
  Ag  Ag69  1  0.493400  0.525251  0.658641  1
  Ag  Ag70  1  0.298115  0.915250  0.704107  1
  Ag  Ag71  1  0.989354  0.525255  0.658642  1
  Ag  Ag72  1  0.794593  0.915257  0.704107  1
  Ag  Ag73  1  0.791906  0.424199  0.704486  1
  Ag  Ag74  1  0.989415  0.029170  0.658949  1
  Ag  Ag75  1  0.856716  0.794885  0.651595  1
  Ag  Ag76  1  0.660918  0.186210  0.697478  1
  Ag  Ag77  1  0.356461  0.794882  0.651593  1
  Ag  Ag78  1  0.160951  0.186204  0.697475  1
  Ag  Ag79  1  0.165459  0.677132  0.698462  1
  Ag  Ag80  1  0.359468  0.289132  0.651827  1
