# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16836426
_cell_length_b   11.32863258
_cell_length_c   47.51144160
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.75196442
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr64 Cu32'
_cell_volume   3827.46738605
_cell_formula_units_Z   32
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  0.389169  0.068232  0.269047  1
  Zr  Zr2  1  0.806211  0.031565  0.293062  1
  Zr  Zr3  1  0.142612  0.854330  0.271056  1
  Zr  Zr4  1  0.548997  0.825325  0.297948  1
  Zr  Zr5  1  0.010918  0.512524  0.307277  1
  Zr  Zr6  1  0.586290  0.557947  0.281557  1
  Zr  Zr7  1  0.346038  0.337131  0.284344  1
  Zr  Zr8  1  0.749210  0.310730  0.310761  1
  Zr  Zr9  1  0.214233  1.001590  0.325592  1
  Zr  Zr10  1  0.622469  0.967192  0.354330  1
  Zr  Zr11  1  0.955916  0.795602  0.328818  1
  Zr  Zr12  1  0.364960  0.755113  0.355922  1
  Zr  Zr13  1  0.824510  0.451387  0.368430  1
  Zr  Zr14  1  0.420226  0.484678  0.339492  1
  Zr  Zr15  1  0.160449  0.274129  0.342252  1
  Zr  Zr16  1  0.568056  0.244515  0.371700  1
  Zr  Zr17  1  0.025049  0.939603  0.383891  1
  Zr  Zr18  1  0.430409  0.898678  0.412878  1
  Zr  Zr19  1  0.768780  0.724706  0.386248  1
  Zr  Zr20  1  0.171997  0.691795  0.414707  1
  Zr  Zr21  1  0.636383  0.384058  0.428064  1
  Zr  Zr22  1  0.226837  0.418910  0.398130  1
  Zr  Zr23  1  0.970238  0.206871  0.400372  1
  Zr  Zr24  1  0.374796  0.178444  0.430903  1
  Zr  Zr25  1  0.839563  0.868403  0.442462  1
  Zr  Zr26  1  0.245265  0.835058  0.472310  1
  Zr  Zr27  1  0.579079  0.659807  0.445654  1
  Zr  Zr28  1  0.987073  0.627574  0.474638  1
  Zr  Zr29  1  0.447018  0.321249  0.487254  1
  Zr  Zr30  1  0.041901  0.351505  0.457347  1
  Zr  Zr31  1  0.783534  0.143151  0.460075  1
  Zr  Zr32  1  0.190800  0.109892  0.489825  1
  Zr  Zr33  1  0.648920  0.804048  0.501520  1
  Zr  Zr34  1  0.054272  0.769682  0.531221  1
  Zr  Zr35  1  0.391978  0.591444  0.504279  1
  Zr  Zr36  1  0.796462  0.561788  0.533812  1
  Zr  Zr37  1  0.259030  0.253318  0.545604  1
  Zr  Zr38  1  0.851069  0.285155  0.516415  1
  Zr  Zr39  1  0.594536  0.076143  0.518854  1
  Zr  Zr40  1  0.998769  0.044241  0.548710  1
  Zr  Zr41  1  0.462780  0.735065  0.560228  1
  Zr  Zr42  1  0.869973  0.704692  0.590981  1
  Zr  Zr43  1  0.202595  0.528155  0.563208  1
  Zr  Zr44  1  0.612262  0.495455  0.593295  1
  Zr  Zr45  1  0.071188  0.188760  0.605250  1
  Zr  Zr46  1  0.667502  0.219433  0.576216  1
  Zr  Zr47  1  0.406240  0.014299  0.578157  1
  Zr  Zr48  1  0.813959  0.975459  0.607603  1
  Zr  Zr49  1  0.273431  0.669994  0.619422  1
  Zr  Zr50  1  0.675038  0.641924  0.649873  1
  Zr  Zr51  1  0.013887  0.459024  0.622321  1
  Zr  Zr52  1  0.418070  0.428084  0.651334  1
  Zr  Zr53  1  0.880236  0.117431  0.662695  1
  Zr  Zr54  1  0.472905  0.155468  0.635524  1
  Zr  Zr55  1  0.219089  0.944757  0.637168  1
  Zr  Zr56  1  0.623015  0.906226  0.666790  1
  Zr  Zr57  1  0.082569  0.598614  0.677925  1
  Zr  Zr58  1  0.496667  0.573296  0.707222  1
  Zr  Zr59  1  0.824839  0.397636  0.683226  1
  Zr  Zr60  1  0.247060  0.362478  0.710359  1
  Zr  Zr61  1  0.690747  0.062583  0.720555  1
  Zr  Zr62  1  0.288775  0.088208  0.693787  1
  Zr  Zr63  1  0.025308  0.885450  0.698380  1
  Zr  Zr64  1  0.448765  0.841988  0.723289  1
  Cu  Cu65  1  0.072550  0.186712  0.291184  1
  Cu  Cu66  1  0.490718  0.152508  0.320228  1
  Cu  Cu67  1  0.261345  0.667877  0.303860  1
  Cu  Cu68  1  0.875205  0.708530  0.278953  1
  Cu  Cu69  1  0.882821  0.124449  0.345287  1
  Cu  Cu70  1  0.305860  0.089544  0.378322  1
  Cu  Cu71  1  0.089800  0.602713  0.360465  1
  Cu  Cu72  1  0.700785  0.637747  0.332106  1
  Cu  Cu73  1  0.691780  0.055567  0.407825  1
  Cu  Cu74  1  0.111223  0.022487  0.437167  1
  Cu  Cu75  1  0.901537  0.538809  0.422192  1
  Cu  Cu76  1  0.501565  0.570486  0.393163  1
  Cu  Cu77  1  0.513157  0.989430  0.465041  1
  Cu  Cu78  1  0.921660  0.956519  0.495408  1
  Cu  Cu79  1  0.721493  0.472796  0.480761  1
  Cu  Cu80  1  0.309645  0.506182  0.450727  1
  Cu  Cu81  1  0.323234  0.923400  0.525856  1
  Cu  Cu82  1  0.727878  0.889822  0.554906  1
  Cu  Cu83  1  0.530768  0.406430  0.541051  1
  Cu  Cu84  1  0.116278  0.440098  0.510361  1
  Cu  Cu85  1  0.144202  0.857560  0.583607  1
  Cu  Cu86  1  0.538325  0.825221  0.612327  1
  Cu  Cu87  1  0.343122  0.341313  0.597841  1
  Cu  Cu88  1  0.933782  0.374274  0.568700  1
  Cu  Cu89  1  0.956357  0.791260  0.645333  1
  Cu  Cu90  1  0.332707  0.757882  0.673482  1
  Cu  Cu91  1  0.141142  0.274757  0.659896  1
  Cu  Cu92  1  0.744135  0.307528  0.629934  1
  Cu  Cu93  1  0.785683  0.719511  0.704278  1
  Cu  Cu94  1  0.171067  0.689448  0.725465  1
  Cu  Cu95  1  0.964624  0.205186  0.712456  1
  Cu  Cu96  1  0.568080  0.247051  0.687376  1
