# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19581714
_cell_length_b   33.20491590
_cell_length_c   47.75010942
_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   5067.09068494
_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  0.503569  0.716894  0.270640  1
  Zr  Zr2  1  0.503569  0.034670  0.313950  1
  Zr  Zr3  1  0.503569  0.372435  0.289331  1
  Zr  Zr4  1  1.003569  0.636845  0.291474  1
  Zr  Zr5  1  1.003569  0.978952  0.273500  1
  Zr  Zr6  1  1.003569  0.299413  0.316076  1
  Zr  Zr7  1  1.003569  0.866336  0.324091  1
  Zr  Zr8  1  1.003569  0.202723  0.300256  1
  Zr  Zr9  1  1.003569  0.543754  0.280743  1
  Zr  Zr10  1  0.503569  0.808423  0.282829  1
  Zr  Zr11  1  0.503569  0.129679  0.326885  1
  Zr  Zr12  1  0.503569  0.469239  0.304798  1
  Zr  Zr13  1  0.503569  0.694103  0.334135  1
  Zr  Zr14  1  0.503569  0.016006  0.380083  1
  Zr  Zr15  1  0.503569  0.356264  0.357731  1
  Zr  Zr16  1  1.003569  0.619619  0.359303  1
  Zr  Zr17  1  1.003569  0.958945  0.336875  1
  Zr  Zr18  1  1.003569  0.278711  0.381343  1
  Zr  Zr19  1  1.003569  0.846864  0.391728  1
  Zr  Zr20  1  1.003569  0.186623  0.368629  1
  Zr  Zr21  1  1.003569  0.525133  0.346728  1
  Zr  Zr22  1  0.503569  0.791442  0.348634  1
  Zr  Zr23  1  0.503569  0.110519  0.393132  1
  Zr  Zr24  1  0.503569  0.447989  0.370404  1
  Zr  Zr25  1  0.503569  0.677120  0.401408  1
  Zr  Zr26  1  0.503569  0.997477  0.447222  1
  Zr  Zr27  1  0.503569  0.335053  0.424235  1
  Zr  Zr28  1  1.003569  0.601224  0.425853  1
  Zr  Zr29  1  1.003569  0.940583  0.404501  1
  Zr  Zr30  1  1.003569  0.260802  0.449302  1
  Zr  Zr31  1  1.003569  0.826605  0.457695  1
  Zr  Zr32  1  1.003569  0.166179  0.436058  1
  Zr  Zr33  1  1.003569  0.505882  0.412650  1
  Zr  Zr34  1  0.503569  0.769853  0.414554  1
  Zr  Zr35  1  0.503569  0.090773  0.460401  1
  Zr  Zr36  1  0.503569  0.431334  0.437814  1
  Zr  Zr37  1  0.503569  0.656729  0.468807  1
  Zr  Zr38  1  0.503569  0.977755  0.513959  1
  Zr  Zr39  1  0.503569  0.318054  0.491691  1
  Zr  Zr40  1  1.003569  0.580751  0.492807  1
  Zr  Zr41  1  1.003569  0.921757  0.471378  1
  Zr  Zr42  1  1.003569  0.241970  0.515855  1
  Zr  Zr43  1  1.003569  0.807860  0.524143  1
  Zr  Zr44  1  1.003569  0.147633  0.502897  1
  Zr  Zr45  1  1.003569  0.487829  0.480289  1
  Zr  Zr46  1  0.503569  0.751221  0.481851  1
  Zr  Zr47  1  0.503569  0.072775  0.527612  1
  Zr  Zr48  1  0.503569  0.410898  0.504142  1
  Zr  Zr49  1  0.503569  0.638086  0.535229  1
  Zr  Zr50  1  0.503569  0.958987  0.581045  1
  Zr  Zr51  1  0.503569  0.297742  0.558738  1
  Zr  Zr52  1  1.003569  0.563472  0.560019  1
  Zr  Zr53  1  1.003569  0.902242  0.537824  1
  Zr  Zr54  1  1.003569  0.222080  0.583328  1
  Zr  Zr55  1  1.003569  0.788628  0.591445  1
  Zr  Zr56  1  1.003569  0.129021  0.570654  1
  Zr  Zr57  1  1.003569  0.467503  0.546717  1
  Zr  Zr58  1  0.503569  0.732487  0.548629  1
  Zr  Zr59  1  0.503569  0.051901  0.594217  1
  Zr  Zr60  1  0.503569  0.393041  0.571908  1
  Zr  Zr61  1  0.503569  0.619407  0.602666  1
  Zr  Zr62  1  0.503569  0.937507  0.647086  1
  Zr  Zr63  1  0.503569  0.279517  0.625419  1
  Zr  Zr64  1  1.003569  0.542887  0.626990  1
  Zr  Zr65  1  1.003569  0.882179  0.604069  1
  Zr  Zr66  1  1.003569  0.205234  0.650959  1
  Zr  Zr67  1  1.003569  0.769949  0.658897  1
  Zr  Zr68  1  1.003569  0.108701  0.636551  1
  Zr  Zr69  1  1.003569  0.451116  0.614141  1
  Zr  Zr70  1  0.503569  0.712957  0.615545  1
  Zr  Zr71  1  0.503569  0.034262  0.661557  1
  Zr  Zr72  1  0.503569  0.374135  0.637808  1
  Zr  Zr73  1  0.503569  0.599518  0.668951  1
  Zr  Zr74  1  0.503569  0.920252  0.713077  1
  Zr  Zr75  1  0.503569  0.263072  0.693272  1
  Zr  Zr76  1  1.003569  0.526559  0.695436  1
  Zr  Zr77  1  1.003569  0.862736  0.671705  1
  Zr  Zr78  1  1.003569  0.183811  0.714582  1
  Zr  Zr79  1  1.003569  0.750436  0.722465  1
  Zr  Zr80  1  1.003569  0.091449  0.704155  1
  Zr  Zr81  1  1.003569  0.430068  0.679707  1
  Zr  Zr82  1  0.503569  0.694618  0.682161  1
  Zr  Zr83  1  0.503569  0.011700  0.725224  1
  Zr  Zr84  1  0.503569  0.355858  0.703951  1
  Cu  Cu85  1  1.003569  0.752815  0.310854  1
  Cu  Cu86  1  1.003569  0.090363  0.290918  1
  Cu  Cu87  1  1.003569  0.431904  0.269352  1
  Cu  Cu88  1  0.503569  0.581622  0.320359  1
  Cu  Cu89  1  0.503569  0.920700  0.296408  1
  Cu  Cu90  1  0.503569  0.262290  0.280383  1
  Cu  Cu91  1  1.003569  0.733307  0.373007  1
  Cu  Cu92  1  1.003569  0.073128  0.352527  1
  Cu  Cu93  1  1.003569  0.411254  0.327835  1
  Cu  Cu94  1  0.503569  0.563150  0.386400  1
  Cu  Cu95  1  0.503569  0.903104  0.364175  1
  Cu  Cu96  1  0.503569  0.241392  0.338907  1
  Cu  Cu97  1  1.003569  0.713388  0.442369  1
  Cu  Cu98  1  1.003569  0.053918  0.419782  1
  Cu  Cu99  1  1.003569  0.392375  0.399312  1
  Cu  Cu100  1  0.503569  0.544048  0.451886  1
  Cu  Cu101  1  0.503569  0.884061  0.432024  1
  Cu  Cu102  1  0.503569  0.222905  0.409924  1
  Cu  Cu103  1  1.003569  0.694815  0.508651  1
  Cu  Cu104  1  1.003569  0.034587  0.488036  1
  Cu  Cu105  1  1.003569  0.373921  0.463019  1
  Cu  Cu106  1  0.503569  0.524718  0.521218  1
  Cu  Cu107  1  0.503569  0.864746  0.497488  1
  Cu  Cu108  1  0.503569  0.204075  0.475858  1
  Cu  Cu109  1  1.003569  0.675683  0.575064  1
  Cu  Cu110  1  1.003569  0.015511  0.553304  1
  Cu  Cu111  1  1.003569  0.354822  0.532676  1
  Cu  Cu112  1  0.503569  0.506651  0.585370  1
  Cu  Cu113  1  0.503569  0.844964  0.563865  1
  Cu  Cu114  1  0.503569  0.185280  0.542605  1
  Cu  Cu115  1  1.003569  0.656232  0.643722  1
  Cu  Cu116  1  1.003569  0.995572  0.622462  1
  Cu  Cu117  1  1.003569  0.335820  0.598249  1
  Cu  Cu118  1  0.503569  0.487969  0.656750  1
  Cu  Cu119  1  0.503569  0.825967  0.631790  1
  Cu  Cu120  1  0.503569  0.166413  0.611868  1
  Cu  Cu121  1  1.003569  0.638748  0.704945  1
  Cu  Cu122  1  1.003569  0.975776  0.685066  1
  Cu  Cu123  1  1.003569  0.317942  0.664230  1
  Cu  Cu124  1  0.503569  0.467054  0.715339  1
  Cu  Cu125  1  0.503569  0.808329  0.699228  1
  Cu  Cu126  1  0.503569  0.146495  0.674822  1
