# generated using pymatgen
data_CuAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.75977079
_cell_length_b   7.06512210
_cell_length_c   48.37993954
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   57.74294422
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg3
_chemical_formula_sum   'Cu42 Ag126'
_cell_volume   5711.67863732
_cell_formula_units_Z   42
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  0.999617  0.038964  0.319607  1
  Cu  Cu2  1  0.292499  0.895841  0.337267  1
  Cu  Cu3  1  0.702164  0.170810  0.299600  1
  Cu  Cu4  1  0.914691  0.655135  0.304048  1
  Cu  Cu5  1  0.211308  0.520036  0.321225  1
  Cu  Cu6  1  0.622478  0.794002  0.284046  1
  Cu  Cu7  1  0.885997  0.615487  0.378589  1
  Cu  Cu8  1  0.182793  0.467255  0.399315  1
  Cu  Cu9  1  0.590784  0.747177  0.356389  1
  Cu  Cu10  1  0.804599  0.227404  0.362387  1
  Cu  Cu11  1  0.101826  0.091430  0.382364  1
  Cu  Cu12  1  0.510048  0.363506  0.340194  1
  Cu  Cu13  1  0.774946  0.186808  0.441507  1
  Cu  Cu14  1  0.071433  0.042645  0.462447  1
  Cu  Cu15  1  0.479967  0.320446  0.419262  1
  Cu  Cu16  1  0.694631  0.800817  0.423871  1
  Cu  Cu17  1  0.990902  0.664643  0.445418  1
  Cu  Cu18  1  0.399429  0.938255  0.401816  1
  Cu  Cu19  1  0.664737  0.757604  0.504261  1
  Cu  Cu20  1  0.960400  0.617163  0.525557  1
  Cu  Cu21  1  0.369078  0.892858  0.482290  1
  Cu  Cu22  1  0.584399  0.372032  0.486340  1
  Cu  Cu23  1  0.880058  0.236779  0.508311  1
  Cu  Cu24  1  0.288736  0.512474  0.465044  1
  Cu  Cu25  1  0.554505  0.328819  0.566730  1
  Cu  Cu26  1  0.849707  0.191382  0.588785  1
  Cu  Cu27  1  0.258234  0.464994  0.545183  1
  Cu  Cu28  1  0.474190  0.942828  0.549095  1
  Cu  Cu29  1  0.769169  0.809190  0.571339  1
  Cu  Cu30  1  0.177703  0.086991  0.528154  1
  Cu  Cu31  1  0.444536  0.902232  0.628214  1
  Cu  Cu32  1  0.739087  0.766131  0.650407  1
  Cu  Cu33  1  0.147310  0.038207  0.608238  1
  Cu  Cu34  1  0.363138  0.514149  0.612012  1
  Cu  Cu35  1  0.658351  0.382459  0.634212  1
  Cu  Cu36  1  0.066343  0.662381  0.591286  1
  Cu  Cu37  1  0.334445  0.474501  0.686554  1
  Cu  Cu38  1  0.626658  0.335634  0.706556  1
  Cu  Cu39  1  0.037828  0.609600  0.669376  1
  Cu  Cu40  1  0.249518  0.090672  0.670994  1
  Cu  Cu41  1  0.546971  0.958827  0.691001  1
  Cu  Cu42  1  0.956637  0.233796  0.653334  1
  Ag  Ag43  1  0.865897  0.421759  0.327285  1
  Ag  Ag44  1  0.266368  0.752517  0.288180  1
  Ag  Ag45  1  0.568059  0.577421  0.306976  1
  Ag  Ag46  1  0.119693  0.801177  0.279735  1
  Ag  Ag47  1  0.423691  0.629789  0.295767  1
  Ag  Ag48  1  0.720101  0.488716  0.317952  1
  Ag  Ag49  1  0.053598  0.611286  0.308948  1
  Ag  Ag50  1  0.358693  0.446017  0.328463  1
  Ag  Ag51  1  0.768062  0.733720  0.287453  1
  Ag  Ag52  1  0.038557  0.264459  0.286572  1
  Ag  Ag53  1  0.344607  0.101688  0.303279  1
  Ag  Ag54  1  0.644034  0.961292  0.327061  1
  Ag  Ag55  1  0.793899  0.894544  0.336502  1
  Ag  Ag56  1  0.188766  0.215108  0.293440  1
  Ag  Ag57  1  0.492650  0.048074  0.312156  1
  Ag  Ag58  1  0.857252  0.087622  0.300063  1
  Ag  Ag59  1  0.145324  0.975223  0.326974  1
  Ag  Ag60  1  0.566205  0.228570  0.281668  1
  Ag  Ag61  1  0.752258  0.006917  0.391587  1
  Ag  Ag62  1  0.156956  0.312207  0.350165  1
  Ag  Ag63  1  0.457305  0.146810  0.369145  1
  Ag  Ag64  1  0.008587  0.378912  0.342309  1
  Ag  Ag65  1  0.308836  0.216613  0.359796  1
  Ag  Ag66  1  0.604613  0.074801  0.381674  1
  Ag  Ag67  1  0.949484  0.175676  0.373197  1
  Ag  Ag68  1  0.248747  0.019305  0.391932  1
  Ag  Ag69  1  0.655704  0.303326  0.350631  1
  Ag  Ag70  1  0.936971  0.844229  0.348500  1
  Ag  Ag71  1  0.237902  0.677450  0.367865  1
  Ag  Ag72  1  0.533511  0.537294  0.388361  1
  Ag  Ag73  1  0.682087  0.468924  0.398755  1
  Ag  Ag74  1  0.087371  0.765514  0.358435  1
  Ag  Ag75  1  0.386240  0.608846  0.377215  1
  Ag  Ag76  1  0.743171  0.663231  0.366408  1
  Ag  Ag77  1  0.034880  0.544482  0.389671  1
  Ag  Ag78  1  0.444873  0.810608  0.344528  1
  Ag  Ag79  1  0.641655  0.581847  0.454165  1
  Ag  Ag80  1  0.046588  0.881718  0.413812  1
  Ag  Ag81  1  0.345153  0.724830  0.432875  1
  Ag  Ag82  1  0.897875  0.948238  0.404017  1
  Ag  Ag83  1  0.197418  0.792194  0.423175  1
  Ag  Ag84  1  0.493264  0.649643  0.443966  1
  Ag  Ag85  1  0.839804  0.744164  0.435607  1
  Ag  Ag86  1  0.138111  0.593098  0.455418  1
  Ag  Ag87  1  0.544977  0.874492  0.412873  1
  Ag  Ag88  1  0.827770  0.407384  0.411342  1
  Ag  Ag89  1  0.126818  0.252382  0.430942  1
  Ag  Ag90  1  0.423435  0.107391  0.451362  1
  Ag  Ag91  1  0.571896  0.039333  0.461334  1
  Ag  Ag92  1  0.976425  0.339801  0.421226  1
  Ag  Ag93  1  0.274971  0.184450  0.440664  1
  Ag  Ag94  1  0.629837  0.244640  0.429774  1
  Ag  Ag95  1  0.924171  0.114140  0.452296  1
  Ag  Ag96  1  0.334806  0.382505  0.408328  1
  Ag  Ag97  1  0.531575  0.152029  0.516822  1
  Ag  Ag98  1  0.936013  0.451520  0.476629  1
  Ag  Ag99  1  0.233783  0.300697  0.496350  1
  Ag  Ag100  1  0.787410  0.519784  0.466650  1
  Ag  Ag101  1  0.085672  0.369039  0.486521  1
  Ag  Ag102  1  0.383072  0.220191  0.506705  1
  Ag  Ag103  1  0.729376  0.315010  0.498125  1
  Ag  Ag104  1  0.026551  0.169417  0.518812  1
  Ag  Ag105  1  0.435336  0.444996  0.475557  1
  Ag  Ag106  1  0.717561  0.977608  0.473779  1
  Ag  Ag107  1  0.015353  0.828940  0.494251  1
  Ag  Ag108  1  0.313123  0.678116  0.513973  1
  Ag  Ag109  1  0.461726  0.609853  0.523951  1
  Ag  Ag110  1  0.866064  0.909445  0.483897  1
  Ag  Ag111  1  0.163463  0.760597  0.504081  1
  Ag  Ag112  1  0.519759  0.814627  0.492476  1
  Ag  Ag113  1  0.813800  0.684641  0.515044  1
  Ag  Ag114  1  0.222585  0.960219  0.471790  1
  Ag  Ag115  1  0.421366  0.722252  0.579260  1
  Ag  Ag116  1  0.825700  0.022245  0.539239  1
  Ag  Ag117  1  0.122317  0.877255  0.559660  1
  Ag  Ag118  1  0.677240  0.090304  0.529268  1
  Ag  Ag119  1  0.974164  0.945186  0.549937  1
  Ag  Ag120  1  0.272711  0.789835  0.569375  1
  Ag  Ag121  1  0.619299  0.884997  0.560827  1
  Ag  Ag122  1  0.914330  0.747132  0.582273  1
  Ag  Ag123  1  0.324965  0.015497  0.538305  1
  Ag  Ag124  1  0.607481  0.547789  0.536436  1
  Ag  Ag125  1  0.903983  0.404806  0.557727  1
  Ag  Ag126  1  0.202548  0.247918  0.576789  1
  Ag  Ag127  1  0.351261  0.181399  0.586584  1
  Ag  Ag128  1  0.755872  0.479994  0.546635  1
  Ag  Ag129  1  0.051717  0.337443  0.567426  1
  Ag  Ag130  1  0.409332  0.385473  0.554995  1
  Ag  Ag131  1  0.704158  0.255144  0.577729  1
  Ag  Ag132  1  0.111024  0.536538  0.535183  1
  Ag  Ag133  1  0.312164  0.285407  0.642101  1
  Ag  Ag134  1  0.715625  0.592343  0.602240  1
  Ag  Ag135  1  0.011233  0.452186  0.622736  1
  Ag  Ag136  1  0.567049  0.660713  0.591846  1
  Ag  Ag137  1  0.862896  0.520790  0.613387  1
  Ag  Ag138  1  0.161764  0.364122  0.632166  1
  Ag  Ag139  1  0.505965  0.466406  0.624193  1
  Ag  Ag140  1  0.804263  0.319028  0.646073  1
  Ag  Ag141  1  0.214256  0.585154  0.600931  1
  Ag  Ag142  1  0.496878  0.122719  0.599014  1
  Ag  Ag143  1  0.791830  0.982826  0.621457  1
  Ag  Ag144  1  0.092179  0.817429  0.640436  1
  Ag  Ag145  1  0.240548  0.750725  0.648292  1
  Ag  Ag146  1  0.644523  0.054835  0.608927  1
  Ag  Ag147  1  0.940299  0.913023  0.630806  1
  Ag  Ag148  1  0.299652  0.953960  0.617404  1
  Ag  Ag149  1  0.593432  0.826310  0.639970  1
  Ag  Ag150  1  1.000389  0.110332  0.598669  1
  Ag  Ag151  1  0.210578  0.865178  0.704029  1
  Ag  Ag152  1  0.605102  0.168344  0.663540  1
  Ag  Ag153  1  0.904528  0.027948  0.687322  1
  Ag  Ag154  1  0.455236  0.235093  0.654100  1
  Ag  Ag155  1  0.756485  0.081563  0.678446  1
  Ag  Ag156  1  0.060370  0.914528  0.697161  1
  Ag  Ag157  1  0.391884  0.042014  0.690538  1
  Ag  Ag158  1  0.682931  0.901067  0.708933  1
  Ag  Ag159  1  0.103812  0.154414  0.663628  1
  Ag  Ag160  1  0.383239  0.707877  0.663316  1
  Ag  Ag161  1  0.681077  0.552216  0.683625  1
  Ag  Ag162  1  0.982768  0.377119  0.702421  1
  Ag  Ag163  1  0.129443  0.328460  0.710866  1
  Ag  Ag164  1  0.529034  0.640921  0.672649  1
  Ag  Ag165  1  0.825445  0.499847  0.694834  1
  Ag  Ag166  1  0.195538  0.518350  0.681653  1
  Ag  Ag167  1  0.481073  0.395916  0.703149  1
  Ag  Ag168  1  0.890443  0.683620  0.662138  1
