# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.29508723
_cell_length_b   9.25279883
_cell_length_c   48.05306669
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.01767276
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr60 Cu60'
_cell_volume   4656.97360936
_cell_formula_units_Z   60
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
  Zr  Zr1  1  0.177131  0.293203  0.290953  1
  Zr  Zr2  1  0.452193  0.165283  0.316122  1
  Zr  Zr3  1  0.819799  0.220159  0.303140  1
  Zr  Zr4  1  0.177131  0.793203  0.290953  1
  Zr  Zr5  1  0.452193  0.665283  0.316122  1
  Zr  Zr6  1  0.819799  0.720159  0.303140  1
  Zr  Zr7  1  0.090165  0.095868  0.330585  1
  Zr  Zr8  1  0.357287  0.975804  0.359545  1
  Zr  Zr9  1  0.718515  0.040261  0.346346  1
  Zr  Zr10  1  0.090165  0.595868  0.330585  1
  Zr  Zr11  1  0.357287  0.475804  0.359545  1
  Zr  Zr12  1  0.718515  0.540261  0.346346  1
  Zr  Zr13  1  0.991061  0.913226  0.373882  1
  Zr  Zr14  1  0.258233  0.792002  0.404446  1
  Zr  Zr15  1  0.623481  0.853080  0.388047  1
  Zr  Zr16  1  0.991061  0.413226  0.373882  1
  Zr  Zr17  1  0.258233  0.292002  0.404446  1
  Zr  Zr18  1  0.623481  0.353080  0.388047  1
  Zr  Zr19  1  0.892928  0.730613  0.418376  1
  Zr  Zr20  1  0.160514  0.609102  0.447620  1
  Zr  Zr21  1  0.527598  0.668602  0.432425  1
  Zr  Zr22  1  0.892928  0.230613  0.418376  1
  Zr  Zr23  1  0.160514  0.109102  0.447620  1
  Zr  Zr24  1  0.527598  0.168602  0.432425  1
  Zr  Zr25  1  0.794752  0.548049  0.462031  1
  Zr  Zr26  1  0.063505  0.425415  0.490832  1
  Zr  Zr27  1  0.429136  0.486478  0.476229  1
  Zr  Zr28  1  0.794752  0.048049  0.462031  1
  Zr  Zr29  1  0.063505  0.925415  0.490832  1
  Zr  Zr30  1  0.429136  0.986478  0.476229  1
  Zr  Zr31  1  0.696563  0.365047  0.505317  1
  Zr  Zr32  1  0.965316  0.242413  0.534118  1
  Zr  Zr33  1  0.330932  0.303984  0.519920  1
  Zr  Zr34  1  0.696563  0.865047  0.505317  1
  Zr  Zr35  1  0.965316  0.742413  0.534118  1
  Zr  Zr36  1  0.330932  0.803984  0.519920  1
  Zr  Zr37  1  0.599554  0.181360  0.548530  1
  Zr  Zr38  1  0.867139  0.059849  0.577774  1
  Zr  Zr39  1  0.232470  0.121860  0.563725  1
  Zr  Zr40  1  0.599554  0.681360  0.548530  1
  Zr  Zr41  1  0.867139  0.559849  0.577774  1
  Zr  Zr42  1  0.232470  0.621860  0.563725  1
  Zr  Zr43  1  0.501835  0.998459  0.591703  1
  Zr  Zr44  1  0.769007  0.877235  0.622267  1
  Zr  Zr45  1  0.136587  0.937381  0.608102  1
  Zr  Zr46  1  0.501835  0.498459  0.591703  1
  Zr  Zr47  1  0.769007  0.377235  0.622267  1
  Zr  Zr48  1  0.136587  0.437381  0.608102  1
  Zr  Zr49  1  0.402781  0.814657  0.636604  1
  Zr  Zr50  1  0.669903  0.694593  0.665565  1
  Zr  Zr51  1  0.041553  0.750201  0.649803  1
  Zr  Zr52  1  0.402781  0.314657  0.636604  1
  Zr  Zr53  1  0.669903  0.194593  0.665565  1
  Zr  Zr54  1  0.041553  0.250201  0.649803  1
  Zr  Zr55  1  0.307875  0.625179  0.680028  1
  Zr  Zr56  1  0.582937  0.497259  0.705196  1
  Zr  Zr57  1  0.940269  0.570302  0.693009  1
  Zr  Zr58  1  0.307875  0.125179  0.680028  1
  Zr  Zr59  1  0.582937  0.997259  0.705196  1
  Zr  Zr60  1  0.940269  0.070302  0.693009  1
  Cu  Cu61  1  0.942533  0.412331  0.315827  1
  Cu  Cu62  1  0.324396  0.471450  0.301865  1
  Cu  Cu63  1  0.690179  0.525713  0.291358  1
  Cu  Cu64  1  0.942533  0.912331  0.315827  1
  Cu  Cu65  1  0.324396  0.971450  0.301865  1
  Cu  Cu66  1  0.690179  0.025713  0.291358  1
  Cu  Cu67  1  0.858425  0.224785  0.360344  1
  Cu  Cu68  1  0.225778  0.284703  0.346835  1
  Cu  Cu69  1  0.584086  0.355461  0.326126  1
  Cu  Cu70  1  0.858425  0.724785  0.360344  1
  Cu  Cu71  1  0.225778  0.784703  0.346835  1
  Cu  Cu72  1  0.584086  0.855461  0.326126  1
  Cu  Cu73  1  0.760318  0.040892  0.404220  1
  Cu  Cu74  1  0.124804  0.102528  0.389505  1
  Cu  Cu75  1  0.486148  0.166182  0.374745  1
  Cu  Cu76  1  0.760318  0.540892  0.404220  1
  Cu  Cu77  1  0.124804  0.602528  0.389505  1
  Cu  Cu78  1  0.486148  0.666182  0.374745  1
  Cu  Cu79  1  0.660585  0.858745  0.446787  1
  Cu  Cu80  1  0.025592  0.920211  0.432462  1
  Cu  Cu81  1  0.392866  0.980356  0.418181  1
  Cu  Cu82  1  0.660585  0.358745  0.446787  1
  Cu  Cu83  1  0.025592  0.420211  0.432462  1
  Cu  Cu84  1  0.392866  0.480356  0.418181  1
  Cu  Cu85  1  0.562161  0.675880  0.490511  1
  Cu  Cu86  1  0.928500  0.736865  0.476306  1
  Cu  Cu87  1  0.296280  0.797108  0.461964  1
  Cu  Cu88  1  0.562161  0.175880  0.490511  1
  Cu  Cu89  1  0.928500  0.236865  0.476306  1
  Cu  Cu90  1  0.296280  0.297108  0.461964  1
  Cu  Cu91  1  0.463788  0.493354  0.534185  1
  Cu  Cu92  1  0.831568  0.553596  0.519844  1
  Cu  Cu93  1  0.197907  0.614581  0.505638  1
  Cu  Cu94  1  0.463788  0.993354  0.534185  1
  Cu  Cu95  1  0.831568  0.053596  0.519844  1
  Cu  Cu96  1  0.197907  0.114581  0.505638  1
  Cu  Cu97  1  0.367202  0.310105  0.577969  1
  Cu  Cu98  1  0.734476  0.370251  0.563688  1
  Cu  Cu99  1  0.099483  0.431717  0.549362  1
  Cu  Cu100  1  0.367202  0.810105  0.577969  1
  Cu  Cu101  1  0.734476  0.870251  0.563688  1
  Cu  Cu102  1  0.099483  0.931717  0.549362  1
  Cu  Cu103  1  0.273920  0.124280  0.621405  1
  Cu  Cu104  1  0.635264  0.187934  0.606645  1
  Cu  Cu105  1  0.999749  0.249570  0.591929  1
  Cu  Cu106  1  0.273920  0.624280  0.621405  1
  Cu  Cu107  1  0.635264  0.687934  0.606645  1
  Cu  Cu108  1  0.999749  0.749570  0.591929  1
  Cu  Cu109  1  0.175982  0.935001  0.670024  1
  Cu  Cu110  1  0.534290  0.005759  0.649314  1
  Cu  Cu111  1  0.901643  0.065677  0.635805  1
  Cu  Cu112  1  0.175982  0.435001  0.670024  1
  Cu  Cu113  1  0.534290  0.505759  0.649314  1
  Cu  Cu114  1  0.901643  0.565677  0.635805  1
  Cu  Cu115  1  0.069889  0.764748  0.704792  1
  Cu  Cu116  1  0.435672  0.819012  0.694284  1
  Cu  Cu117  1  0.817535  0.878131  0.680322  1
  Cu  Cu118  1  0.069889  0.264748  0.704792  1
  Cu  Cu119  1  0.435672  0.319012  0.694284  1
  Cu  Cu120  1  0.817535  0.378131  0.680322  1
