# generated using pymatgen
data_CuAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49805387
_cell_length_b   16.79870573
_cell_length_c   51.07403922
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.21383023
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg3
_chemical_formula_sum   'Cu36 Ag108'
_cell_volume   4656.34481906
_cell_formula_units_Z   36
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  0.822884  0.188473  0.309559  1
  Cu  Cu2  1  0.172193  0.734398  0.277133  1
  Cu  Cu3  1  0.304961  0.456391  0.315929  1
  Cu  Cu4  1  0.242544  0.880313  0.277581  1
  Cu  Cu5  1  0.545988  0.538593  0.284746  1
  Cu  Cu6  1  0.021119  0.326008  0.308498  1
  Cu  Cu7  1  0.778731  0.327517  0.395302  1
  Cu  Cu8  1  0.254606  0.895903  0.347878  1
  Cu  Cu9  1  0.883207  0.636105  0.386556  1
  Cu  Cu10  1  0.358900  0.039736  0.348272  1
  Cu  Cu11  1  0.691670  0.725164  0.352541  1
  Cu  Cu12  1  0.838354  0.483036  0.391244  1
  Cu  Cu13  1  0.355809  0.496712  0.469375  1
  Cu  Cu14  1  0.547621  0.098433  0.432141  1
  Cu  Cu15  1  0.943217  0.828721  0.460256  1
  Cu  Cu16  1  0.579793  0.236547  0.426721  1
  Cu  Cu17  1  0.770750  0.906309  0.428470  1
  Cu  Cu18  1  0.403205  0.641265  0.466144  1
  Cu  Cu19  1  0.374343  0.669207  0.553058  1
  Cu  Cu20  1  0.551020  0.264472  0.513620  1
  Cu  Cu21  1  0.183417  0.999428  0.551306  1
  Cu  Cu22  1  0.598391  0.409047  0.510398  1
  Cu  Cu23  1  0.010999  0.077016  0.519518  1
  Cu  Cu24  1  0.406606  0.807289  0.547638  1
  Cu  Cu25  1  0.595264  0.865991  0.631509  1
  Cu  Cu26  1  0.115851  0.422677  0.588529  1
  Cu  Cu27  1  0.262530  0.180567  0.627238  1
  Cu  Cu28  1  0.175345  0.578244  0.584488  1
  Cu  Cu29  1  0.070958  0.269628  0.593218  1
  Cu  Cu30  1  0.699634  1.009822  0.631898  1
  Cu  Cu31  1  0.711671  0.025439  0.702193  1
  Cu  Cu32  1  0.933273  0.579740  0.671275  1
  Cu  Cu33  1  0.408227  0.367156  0.695029  1
  Cu  Cu34  1  0.131416  0.717304  0.670222  1
  Cu  Cu35  1  0.649214  0.449352  0.663839  1
  Cu  Cu36  1  0.782013  0.171339  0.702641  1
  Ag  Ag37  1  0.334261  0.036066  0.265124  1
  Ag  Ag38  1  0.951228  0.806046  0.313303  1
  Ag  Ag39  1  0.303027  0.400745  0.268328  1
  Ag  Ag40  1  0.863275  0.075566  0.275168  1
  Ag  Ag41  1  0.464793  0.809751  0.312223  1
  Ag  Ag42  1  0.793141  0.375010  0.265434  1
  Ag  Ag43  1  0.756281  0.892491  0.271025  1
  Ag  Ag44  1  0.077251  0.545671  0.272872  1
  Ag  Ag45  1  0.500152  0.306256  0.306647  1
  Ag  Ag46  1  0.552478  0.979635  0.308873  1
  Ag  Ag47  1  0.885359  0.638980  0.310810  1
  Ag  Ag48  1  0.121588  0.235409  0.270046  1
  Ag  Ag49  1  0.048515  0.975126  0.310656  1
  Ag  Ag50  1  0.382470  0.644348  0.312636  1
  Ag  Ag51  1  0.595568  0.204039  0.264830  1
  Ag  Ag52  1  0.329929  0.133557  0.308662  1
  Ag  Ag53  1  0.663951  0.718317  0.271391  1
  Ag  Ag54  1  0.816833  0.459775  0.312515  1
  Ag  Ag55  1  0.648006  0.236948  0.352198  1
  Ag  Ag56  1  0.068956  0.981108  0.384847  1
  Ag  Ag57  1  0.602820  0.557012  0.350108  1
  Ag  Ag58  1  0.151747  0.230374  0.345665  1
  Ag  Ag59  1  0.590233  1.002654  0.391939  1
  Ag  Ag60  1  0.100921  0.552739  0.350311  1
  Ag  Ag61  1  0.856040  0.077776  0.346304  1
  Ag  Ag62  1  0.179064  0.728527  0.351855  1
  Ag  Ag63  1  0.334119  0.479443  0.391241  1
  Ag  Ag64  1  0.857768  0.165597  0.392277  1
  Ag  Ag65  1  0.947753  0.815514  0.388279  1
  Ag  Ag66  1  0.030607  0.385086  0.355216  1
  Ag  Ag67  1  0.333422  0.139127  0.387636  1
  Ag  Ag68  1  0.454620  0.831022  0.390941  1
  Ag  Ag69  1  0.537440  0.391145  0.353920  1
  Ag  Ag70  1  0.276233  0.304550  0.392498  1
  Ag  Ag71  1  0.740673  0.900049  0.349828  1
  Ag  Ag72  1  0.403496  0.649968  0.388785  1
  Ag  Ag73  1  0.569388  0.399734  0.430485  1
  Ag  Ag74  1  0.379977  0.172671  0.473186  1
  Ag  Ag75  1  0.660200  0.734838  0.429004  1
  Ag  Ag76  1  0.072970  0.400540  0.431965  1
  Ag  Ag77  1  0.863093  0.139796  0.475153  1
  Ag  Ag78  1  0.162454  0.733710  0.425946  1
  Ag  Ag79  1  0.087796  0.234067  0.436520  1
  Ag  Ag80  1  0.262607  0.922940  0.429438  1
  Ag  Ag81  1  0.903116  0.657997  0.467308  1
  Ag  Ag82  1  0.800661  0.309577  0.471202  1
  Ag  Ag83  1  0.139224  1.009049  0.476305  1
  Ag  Ag84  1  0.626779  0.567450  0.428738  1
  Ag  Ag85  1  0.317378  0.336145  0.473765  1
  Ag  Ag86  1  0.613491  0.989109  0.466968  1
  Ag  Ag87  1  0.121305  0.567364  0.428779  1
  Ag  Ag88  1  0.850341  0.482394  0.469677  1
  Ag  Ag89  1  0.018501  0.065802  0.429487  1
  Ag  Ag90  1  0.434839  0.823936  0.466071  1
  Ag  Ag91  1  0.153298  0.596131  0.508582  1
  Ag  Ag92  1  0.327500  0.338353  0.551043  1
  Ag  Ag93  1  0.814826  0.896692  0.503467  1
  Ag  Ag94  1  0.636916  0.569517  0.506020  1
  Ag  Ag95  1  0.832860  0.338320  0.550993  1
  Ag  Ag96  1  0.340832  0.916611  0.512809  1
  Ag  Ag97  1  0.103780  0.423404  0.510122  1
  Ag  Ag98  1  0.519286  0.081840  0.513685  1
  Ag  Ag99  1  0.935712  0.839935  0.550282  1
  Ag  Ag100  1  0.385015  0.505950  0.549259  1
  Ag  Ag101  1  0.293974  0.170856  0.550762  1
  Ag  Ag102  1  0.574275  0.733061  0.506596  1
  Ag  Ag103  1  0.881064  0.505246  0.547775  1
  Ag  Ag104  1  0.791724  0.172056  0.553822  1
  Ag  Ag105  1  0.090992  0.765913  0.504627  1
  Ag  Ag106  1  0.866375  0.671648  0.543267  1
  Ag  Ag107  1  0.051043  0.247726  0.512457  1
  Ag  Ag108  1  0.691659  0.982746  0.550360  1
  Ag  Ag109  1  0.096667  0.740079  0.587485  1
  Ag  Ag110  1  0.923468  0.520671  0.624562  1
  Ag  Ag111  1  1.006447  0.090175  0.591499  1
  Ag  Ag112  1  0.620531  0.766584  0.592137  1
  Ag  Ag113  1  0.416712  0.514548  0.625861  1
  Ag  Ag114  1  0.499596  0.074706  0.588830  1
  Ag  Ag115  1  0.678043  0.601236  0.587281  1
  Ag  Ag116  1  0.550748  0.255764  0.590999  1
  Ag  Ag117  1  0.213480  1.005664  0.629958  1
  Ag  Ag118  1  0.306380  0.668780  0.627571  1
  Ag  Ag119  1  0.351317  0.348727  0.629659  1
  Ag  Ag120  1  0.885141  0.924709  0.594917  1
  Ag  Ag121  1  0.802260  0.675313  0.634090  1
  Ag  Ag122  1  0.853338  0.352971  0.629460  1
  Ag  Ag123  1  0.364105  0.903077  0.587829  1
  Ag  Ag124  1  0.098196  0.828003  0.633483  1
  Ag  Ag125  1  0.619839  0.426233  0.588544  1
  Ag  Ag126  1  0.775052  0.177230  0.627914  1
  Ag  Ag127  1  0.401722  0.926114  0.670881  1
  Ag  Ag128  1  0.832668  0.670336  0.709724  1
  Ag  Ag129  1  0.068906  0.266776  0.668961  1
  Ag  Ag130  1  0.905686  0.930625  0.669105  1
  Ag  Ag131  1  0.358613  0.701692  0.714937  1
  Ag  Ag132  1  0.571720  0.261393  0.667140  1
  Ag  Ag133  1  0.624290  0.772194  0.671112  1
  Ag  Ag134  1  0.137364  0.445945  0.667254  1
  Ag  Ag135  1  0.290262  0.187425  0.708385  1
  Ag  Ag136  1  0.619967  0.869657  0.714655  1
  Ag  Ag137  1  0.651479  0.504979  0.711443  1
  Ag  Ag138  1  1.002907  0.099666  0.666471  1
  Ag  Ag139  1  0.090900  0.830148  0.704615  1
  Ag  Ag140  1  0.161316  0.530701  0.714343  1
  Ag  Ag141  1  0.489500  0.095992  0.667555  1
  Ag  Ag142  1  0.197883  0.013268  0.708757  1
  Ag  Ag143  1  0.454194  0.599463  0.673119  1
  Ag  Ag144  1  0.876997  0.360031  0.706908  1
