# generated using pymatgen
data_CuAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.60648574
_cell_length_b   10.66691321
_cell_length_c   50.25564726
_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   3005.48354117
_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  1.002632  0.056994  0.323513  1
  Cu  Cu2  1  0.502632  0.644736  0.363108  1
  Cu  Cu3  1  0.502632  0.823556  0.298350  1
  Cu  Cu4  1  1.002632  0.416330  0.336915  1
  Cu  Cu5  1  1.002632  0.233892  0.405703  1
  Cu  Cu6  1  0.502632  0.822567  0.447473  1
  Cu  Cu7  1  0.502632  0.007314  0.377651  1
  Cu  Cu8  1  1.002632  0.596184  0.419618  1
  Cu  Cu9  1  1.002632  0.412102  0.489276  1
  Cu  Cu10  1  0.502632  1.001445  0.531012  1
  Cu  Cu11  1  0.502632  0.185549  0.461474  1
  Cu  Cu12  1  1.002632  0.774893  0.503210  1
  Cu  Cu13  1  1.002632  0.590811  0.572868  1
  Cu  Cu14  1  0.502632  0.179681  0.614835  1
  Cu  Cu15  1  0.502632  0.364428  0.545013  1
  Cu  Cu16  1  1.002632  0.953103  0.586783  1
  Cu  Cu17  1  1.002632  0.770665  0.655571  1
  Cu  Cu18  1  0.502632  0.363439  0.694136  1
  Cu  Cu19  1  0.502632  0.542259  0.629378  1
  Cu  Cu20  1  1.002632  0.130000  0.668974  1
  Ag  Ag21  1  0.753194  0.210772  0.357005  1
  Ag  Ag22  1  0.250862  0.620093  0.314366  1
  Ag  Ag23  1  0.252070  0.210772  0.357005  1
  Ag  Ag24  1  0.754401  0.620093  0.314366  1
  Ag  Ag25  1  1.002632  0.839735  0.295837  1
  Ag  Ag26  1  0.502632  0.420986  0.336667  1
  Ag  Ag27  1  0.751113  0.850766  0.343683  1
  Ag  Ag28  1  0.249214  0.263179  0.302514  1
  Ag  Ag29  1  0.254151  0.850766  0.343683  1
  Ag  Ag30  1  0.756050  0.263179  0.302514  1
  Ag  Ag31  1  0.502632  0.052373  0.320597  1
  Ag  Ag32  1  1.002632  0.641773  0.363239  1
  Ag  Ag33  1  0.754798  0.390095  0.440534  1
  Ag  Ag34  1  0.254710  0.799956  0.398683  1
  Ag  Ag35  1  0.250465  0.390095  0.440534  1
  Ag  Ag36  1  0.750554  0.799956  0.398683  1
  Ag  Ag37  1  1.002632  0.009205  0.378395  1
  Ag  Ag38  1  0.502632  0.597800  0.419748  1
  Ag  Ag39  1  0.750134  0.028657  0.426699  1
  Ag  Ag40  1  0.250550  0.439979  0.384944  1
  Ag  Ag41  1  0.255129  0.028657  0.426699  1
  Ag  Ag42  1  0.754713  0.439979  0.384944  1
  Ag  Ag43  1  0.502632  0.231694  0.405660  1
  Ag  Ag44  1  1.002632  0.820944  0.447357  1
  Ag  Ag45  1  0.754806  0.568771  0.524060  1
  Ag  Ag46  1  0.254756  0.979360  0.482284  1
  Ag  Ag47  1  0.250457  0.568771  0.524060  1
  Ag  Ag48  1  0.750508  0.979360  0.482284  1
  Ag  Ag49  1  1.002632  0.187211  0.461535  1
  Ag  Ag50  1  0.502632  0.776575  0.503311  1
  Ag  Ag51  1  0.750508  0.207635  0.510202  1
  Ag  Ag52  1  0.250457  0.618224  0.468426  1
  Ag  Ag53  1  0.254756  0.207635  0.510202  1
  Ag  Ag54  1  0.754806  0.618224  0.468426  1
  Ag  Ag55  1  0.502632  0.410420  0.489175  1
  Ag  Ag56  1  1.002632  0.999784  0.530951  1
  Ag  Ag57  1  0.754713  0.747015  0.607542  1
  Ag  Ag58  1  0.255129  0.158338  0.565787  1
  Ag  Ag59  1  0.250550  0.747015  0.607542  1
  Ag  Ag60  1  0.750134  0.158338  0.565787  1
  Ag  Ag61  1  1.002632  0.366051  0.545129  1
  Ag  Ag62  1  0.502632  0.955301  0.586826  1
  Ag  Ag63  1  0.750554  0.387038  0.593803  1
  Ag  Ag64  1  0.250465  0.796900  0.551952  1
  Ag  Ag65  1  0.254710  0.387038  0.593803  1
  Ag  Ag66  1  0.754798  0.796900  0.551952  1
  Ag  Ag67  1  0.502632  0.589195  0.572738  1
  Ag  Ag68  1  1.002632  0.177790  0.614091  1
  Ag  Ag69  1  0.756050  0.923815  0.689972  1
  Ag  Ag70  1  0.254151  0.336229  0.648803  1
  Ag  Ag71  1  0.249214  0.923815  0.689972  1
  Ag  Ag72  1  0.751113  0.336229  0.648803  1
  Ag  Ag73  1  1.002632  0.545222  0.629247  1
  Ag  Ag74  1  0.502632  0.134622  0.671889  1
  Ag  Ag75  1  0.754401  0.566902  0.678120  1
  Ag  Ag76  1  0.252070  0.976223  0.635481  1
  Ag  Ag77  1  0.250862  0.566902  0.678120  1
  Ag  Ag78  1  0.753194  0.976223  0.635481  1
  Ag  Ag79  1  0.502632  0.766009  0.655819  1
  Ag  Ag80  1  1.002632  0.347260  0.696649  1
