# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38998690
_cell_length_b   32.09487883
_cell_length_c   49.43675557
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr84 Cu42'
_cell_volume   5378.77926409
_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
  Zr  Zr1  1  0.000806  0.841892  0.328439  1
  Zr  Zr2  1  0.000806  0.179687  0.305334  1
  Zr  Zr3  1  0.000806  0.524454  0.285555  1
  Zr  Zr4  1  0.500806  0.792551  0.286543  1
  Zr  Zr5  1  0.500806  0.110404  0.332167  1
  Zr  Zr6  1  0.500806  0.447724  0.306797  1
  Zr  Zr7  1  0.500806  0.697463  0.274506  1
  Zr  Zr8  1  0.500806  0.012407  0.316388  1
  Zr  Zr9  1  0.500806  0.350986  0.295570  1
  Zr  Zr10  1  0.000806  0.620101  0.295648  1
  Zr  Zr11  1  0.000806  0.955820  0.279176  1
  Zr  Zr12  1  0.000806  0.280204  0.321271  1
  Zr  Zr13  1  0.000806  0.821480  0.395032  1
  Zr  Zr14  1  0.000806  0.163327  0.372171  1
  Zr  Zr15  1  0.000806  0.503188  0.348709  1
  Zr  Zr16  1  0.500806  0.768367  0.352456  1
  Zr  Zr17  1  0.500806  0.086184  0.396005  1
  Zr  Zr18  1  0.500806  0.427837  0.373509  1
  Zr  Zr19  1  0.500806  0.673800  0.337803  1
  Zr  Zr20  1  0.500806  0.991854  0.382499  1
  Zr  Zr21  1  0.500806  0.333741  0.361334  1
  Zr  Zr22  1  0.000806  0.598411  0.362771  1
  Zr  Zr23  1  0.000806  0.936526  0.339226  1
  Zr  Zr24  1  0.000806  0.256827  0.384874  1
  Zr  Zr25  1  0.000806  0.799441  0.461667  1
  Zr  Zr26  1  0.000806  0.140029  0.438890  1
  Zr  Zr27  1  0.000806  0.480930  0.416339  1
  Zr  Zr28  1  0.500806  0.745692  0.419203  1
  Zr  Zr29  1  0.500806  0.064553  0.463145  1
  Zr  Zr30  1  0.500806  0.405972  0.441312  1
  Zr  Zr31  1  0.500806  0.650964  0.405557  1
  Zr  Zr32  1  0.500806  0.969428  0.449949  1
  Zr  Zr33  1  0.500806  0.310694  0.427900  1
  Zr  Zr34  1  0.000806  0.575741  0.429968  1
  Zr  Zr35  1  0.000806  0.916489  0.407094  1
  Zr  Zr36  1  0.000806  0.235221  0.452194  1
  Zr  Zr37  1  0.000806  0.777020  0.528857  1
  Zr  Zr38  1  0.000806  0.117799  0.505971  1
  Zr  Zr39  1  0.000806  0.458705  0.483847  1
  Zr  Zr40  1  0.500806  0.723810  0.486226  1
  Zr  Zr41  1  0.500806  0.042575  0.530496  1
  Zr  Zr42  1  0.500806  0.383322  0.508517  1
  Zr  Zr43  1  0.500806  0.628826  0.472987  1
  Zr  Zr44  1  0.500806  0.947637  0.517466  1
  Zr  Zr45  1  0.500806  0.288254  0.494932  1
  Zr  Zr46  1  0.000806  0.553571  0.497218  1
  Zr  Zr47  1  0.000806  0.894517  0.474897  1
  Zr  Zr48  1  0.000806  0.212798  0.519524  1
  Zr  Zr49  1  0.000806  0.755085  0.596601  1
  Zr  Zr50  1  0.000806  0.095310  0.573211  1
  Zr  Zr51  1  0.000806  0.436382  0.551251  1
  Zr  Zr52  1  0.500806  0.701995  0.553675  1
  Zr  Zr53  1  0.500806  0.020646  0.598096  1
  Zr  Zr54  1  0.500806  0.360932  0.575552  1
  Zr  Zr55  1  0.500806  0.606822  0.540302  1
  Zr  Zr56  1  0.500806  0.925853  0.584565  1
  Zr  Zr57  1  0.500806  0.265688  0.562249  1
  Zr  Zr58  1  0.000806  0.531447  0.564467  1
  Zr  Zr59  1  0.000806  0.872100  0.542110  1
  Zr  Zr60  1  0.000806  0.190454  0.586715  1
  Zr  Zr61  1  0.000806  0.734919  0.664335  1
  Zr  Zr62  1  0.000806  0.073347  0.641061  1
  Zr  Zr63  1  0.000806  0.414665  0.618545  1
  Zr  Zr64  1  0.500806  0.679486  0.621048  1
  Zr  Zr65  1  0.500806  0.998200  0.665908  1
  Zr  Zr66  1  0.500806  0.337569  0.642143  1
  Zr  Zr67  1  0.500806  0.585219  0.607487  1
  Zr  Zr68  1  0.500806  0.903439  0.651414  1
  Zr  Zr69  1  0.500806  0.244240  0.629767  1
  Zr  Zr70  1  0.000806  0.508376  0.631300  1
  Zr  Zr71  1  0.000806  0.850104  0.608809  1
  Zr  Zr72  1  0.000806  0.167469  0.653444  1
  Zr  Zr73  1  0.000806  0.715086  0.724442  1
  Zr  Zr74  1  0.000806  0.052958  0.707935  1
  Zr  Zr75  1  0.000806  0.391597  0.681554  1
  Zr  Zr76  1  0.500806  0.659075  0.686983  1
  Zr  Zr77  1  0.500806  0.975351  0.729037  1
  Zr  Zr78  1  0.500806  0.322639  0.708817  1
  Zr  Zr79  1  0.500806  0.560797  0.671598  1
  Zr  Zr80  1  0.500806  0.879814  0.717157  1
  Zr  Zr81  1  0.500806  0.221208  0.693691  1
  Zr  Zr82  1  0.000806  0.491294  0.698383  1
  Zr  Zr83  1  0.000806  0.829601  0.675491  1
  Zr  Zr84  1  0.000806  0.149665  0.718938  1
  Cu  Cu85  1  0.500806  0.563325  0.322877  1
  Cu  Cu86  1  0.500806  0.893888  0.299017  1
  Cu  Cu87  1  0.500806  0.241953  0.287407  1
  Cu  Cu88  1  0.000806  0.734496  0.312309  1
  Cu  Cu89  1  0.000806  0.073575  0.297017  1
  Cu  Cu90  1  0.000806  0.390622  0.333402  1
  Cu  Cu91  1  0.500806  0.539417  0.389360  1
  Cu  Cu92  1  0.500806  0.879794  0.366925  1
  Cu  Cu93  1  0.500806  0.219554  0.343050  1
  Cu  Cu94  1  0.000806  0.709167  0.378666  1
  Cu  Cu95  1  0.000806  0.050116  0.354579  1
  Cu  Cu96  1  0.000806  0.370009  0.401440  1
  Cu  Cu97  1  0.500806  0.517071  0.456790  1
  Cu  Cu98  1  0.500806  0.858562  0.434872  1
  Cu  Cu99  1  0.500806  0.198845  0.412412  1
  Cu  Cu100  1  0.000806  0.687056  0.445966  1
  Cu  Cu101  1  0.000806  0.027713  0.423182  1
  Cu  Cu102  1  0.000806  0.347206  0.468173  1
  Cu  Cu103  1  0.500806  0.494898  0.524137  1
  Cu  Cu104  1  0.500806  0.835784  0.501885  1
  Cu  Cu105  1  0.500806  0.176619  0.479195  1
  Cu  Cu106  1  0.000806  0.665389  0.513346  1
  Cu  Cu107  1  0.000806  0.006016  0.490230  1
  Cu  Cu108  1  0.000806  0.324363  0.535271  1
  Cu  Cu109  1  0.500806  0.472704  0.591136  1
  Cu  Cu110  1  0.500806  0.813067  0.568904  1
  Cu  Cu111  1  0.500806  0.154007  0.546366  1
  Cu  Cu112  1  0.000806  0.643633  0.580305  1
  Cu  Cu113  1  0.000806  0.984473  0.557701  1
  Cu  Cu114  1  0.000806  0.301968  0.601945  1
  Cu  Cu115  1  0.500806  0.452411  0.660317  1
  Cu  Cu116  1  0.500806  0.791831  0.636869  1
  Cu  Cu117  1  0.500806  0.131208  0.613208  1
  Cu  Cu118  1  0.000806  0.621019  0.648951  1
  Cu  Cu119  1  0.000806  0.962499  0.625080  1
  Cu  Cu120  1  0.000806  0.281678  0.671530  1
  Cu  Cu121  1  0.500806  0.428171  0.716063  1
  Cu  Cu122  1  0.500806  0.776848  0.704533  1
  Cu  Cu123  1  0.500806  0.110165  0.681186  1
  Cu  Cu124  1  0.000806  0.598282  0.706550  1
  Cu  Cu125  1  0.000806  0.937810  0.691460  1
  Cu  Cu126  1  0.000806  0.260785  0.727008  1
