# generated using pymatgen
data_ZrCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84248744
_cell_length_b   15.36821525
_cell_length_c   55.62068602
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu5
_chemical_formula_sum   'Zr32 Cu160'
_cell_volume   5848.89445549
_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  0.514611  0.897981  0.332726  1
  Zr  Zr2  1  0.480263  0.503858  0.287340  1
  Zr  Zr3  1  0.005045  0.698662  0.309226  1
  Zr  Zr4  1  0.005733  0.099251  0.361616  1
  Zr  Zr5  1  0.980263  0.003858  0.287340  1
  Zr  Zr6  1  0.014611  0.397981  0.332726  1
  Zr  Zr7  1  0.505733  0.599251  0.361616  1
  Zr  Zr8  1  0.505045  0.198662  0.309226  1
  Zr  Zr9  1  0.505181  0.697864  0.445506  1
  Zr  Zr10  1  0.502812  0.299792  0.389742  1
  Zr  Zr11  1  0.005246  0.498616  0.417643  1
  Zr  Zr12  1  0.004934  0.897735  0.473193  1
  Zr  Zr13  1  1.002812  0.799792  0.389742  1
  Zr  Zr14  1  0.005181  0.197864  0.445506  1
  Zr  Zr15  1  0.504934  0.397735  0.473193  1
  Zr  Zr16  1  0.505246  0.998616  0.417643  1
  Zr  Zr17  1  0.505181  0.496843  0.556773  1
  Zr  Zr18  1  0.504867  0.097348  0.501211  1
  Zr  Zr19  1  0.004941  0.297189  0.529033  1
  Zr  Zr20  1  0.005007  0.695804  0.584922  1
  Zr  Zr21  1  0.004867  0.597348  0.501211  1
  Zr  Zr22  1  0.005181  0.996843  0.556773  1
  Zr  Zr23  1  0.505007  0.195804  0.584922  1
  Zr  Zr24  1  0.504941  0.797189  0.529033  1
  Zr  Zr25  1  0.512748  0.295410  0.668768  1
  Zr  Zr26  1  0.502297  0.896074  0.612163  1
  Zr  Zr27  1  0.008767  0.096884  0.641340  1
  Zr  Zr28  1  0.992010  0.490531  0.690640  1
  Zr  Zr29  1  1.002297  0.396074  0.612163  1
  Zr  Zr30  1  0.012748  0.795410  0.668768  1
  Zr  Zr31  1  0.492010  0.990531  0.690640  1
  Zr  Zr32  1  0.508767  0.596884  0.641340  1
  Cu  Cu33  1  0.756969  0.448516  0.375789  1
  Cu  Cu34  1  0.748499  0.051260  0.322430  1
  Cu  Cu35  1  0.339396  0.670762  0.285950  1
  Cu  Cu36  1  0.381592  0.073860  0.340434  1
  Cu  Cu37  1  0.636108  0.472645  0.328100  1
  Cu  Cu38  1  0.628213  0.873443  0.382489  1
  Cu  Cu39  1  0.628260  0.628553  0.313059  1
  Cu  Cu40  1  0.626370  0.024282  0.368646  1
  Cu  Cu41  1  0.378775  0.423147  0.353544  1
  Cu  Cu42  1  0.386754  0.024546  0.297743  1
  Cu  Cu43  1  0.262854  0.851824  0.297289  1
  Cu  Cu44  1  0.254190  0.249057  0.348325  1
  Cu  Cu45  1  0.883347  0.866769  0.311520  1
  Cu  Cu46  1  0.882626  0.274812  0.368623  1
  Cu  Cu47  1  0.129399  0.673551  0.355580  1
  Cu  Cu48  1  0.119412  0.274184  0.297092  1
  Cu  Cu49  1  0.127436  0.825246  0.341126  1
  Cu  Cu50  1  0.125847  0.427948  0.285261  1
  Cu  Cu51  1  0.880173  0.623755  0.382292  1
  Cu  Cu52  1  0.884469  0.223209  0.326446  1
  Cu  Cu53  1  0.248499  0.551260  0.322430  1
  Cu  Cu54  1  0.256969  0.948516  0.375789  1
  Cu  Cu55  1  0.881592  0.573860  0.340434  1
  Cu  Cu56  1  0.839396  0.170762  0.285950  1
  Cu  Cu57  1  0.128213  0.373443  0.382489  1
  Cu  Cu58  1  0.136108  0.972645  0.328100  1
  Cu  Cu59  1  0.126370  0.524282  0.368646  1
  Cu  Cu60  1  0.128260  0.128553  0.313059  1
  Cu  Cu61  1  0.886754  0.524546  0.297743  1
  Cu  Cu62  1  0.878775  0.923147  0.353544  1
  Cu  Cu63  1  0.754190  0.749057  0.348325  1
  Cu  Cu64  1  0.762854  0.351824  0.297289  1
  Cu  Cu65  1  0.382626  0.774812  0.368623  1
  Cu  Cu66  1  0.383347  0.366769  0.311520  1
  Cu  Cu67  1  0.619412  0.774184  0.297092  1
  Cu  Cu68  1  0.629399  0.173551  0.355580  1
  Cu  Cu69  1  0.625847  0.927948  0.285261  1
  Cu  Cu70  1  0.627436  0.325246  0.341126  1
  Cu  Cu71  1  0.384469  0.723209  0.326446  1
  Cu  Cu72  1  0.380173  0.123755  0.382292  1
  Cu  Cu73  1  0.755042  0.247569  0.487229  1
  Cu  Cu74  1  0.754699  0.848307  0.431458  1
  Cu  Cu75  1  0.382469  0.474194  0.396325  1
  Cu  Cu76  1  0.381687  0.873395  0.452498  1
  Cu  Cu77  1  0.628182  0.272493  0.438367  1
  Cu  Cu78  1  0.628156  0.671810  0.494227  1
  Cu  Cu79  1  0.628063  0.424122  0.424383  1
  Cu  Cu80  1  0.628101  0.823352  0.480239  1
  Cu  Cu81  1  0.381872  0.222345  0.466115  1
  Cu  Cu82  1  0.381783  0.823144  0.410361  1
  Cu  Cu83  1  0.255222  0.648760  0.403694  1
  Cu  Cu84  1  0.255167  0.047899  0.459340  1
  Cu  Cu85  1  0.881784  0.673722  0.424594  1
  Cu  Cu86  1  0.881727  0.072979  0.480400  1
  Cu  Cu87  1  0.128197  0.472190  0.466309  1
  Cu  Cu88  1  0.128188  0.072701  0.410495  1
  Cu  Cu89  1  0.128281  0.623707  0.452383  1
  Cu  Cu90  1  0.127311  0.224473  0.396731  1
  Cu  Cu91  1  0.881688  0.422080  0.494006  1
  Cu  Cu92  1  0.881553  0.022543  0.438104  1
  Cu  Cu93  1  0.254699  0.348307  0.431458  1
  Cu  Cu94  1  0.255042  0.747569  0.487229  1
  Cu  Cu95  1  0.881687  0.373395  0.452498  1
  Cu  Cu96  1  0.882469  0.974194  0.396325  1
  Cu  Cu97  1  0.128156  0.171810  0.494227  1
  Cu  Cu98  1  0.128182  0.772493  0.438367  1
  Cu  Cu99  1  0.128101  0.323352  0.480239  1
  Cu  Cu100  1  0.128063  0.924122  0.424383  1
  Cu  Cu101  1  0.881783  0.323144  0.410361  1
  Cu  Cu102  1  0.881872  0.722345  0.466115  1
  Cu  Cu103  1  0.755167  0.547899  0.459340  1
  Cu  Cu104  1  0.755222  0.148760  0.403694  1
  Cu  Cu105  1  0.381727  0.572979  0.480400  1
  Cu  Cu106  1  0.381784  0.173722  0.424594  1
  Cu  Cu107  1  0.628188  0.572701  0.410495  1
  Cu  Cu108  1  0.628197  0.972190  0.466309  1
  Cu  Cu109  1  0.627311  0.724473  0.396731  1
  Cu  Cu110  1  0.628281  0.123707  0.452383  1
  Cu  Cu111  1  0.381553  0.522543  0.438104  1
  Cu  Cu112  1  0.381688  0.922080  0.494006  1
  Cu  Cu113  1  0.756223  0.046325  0.598649  1
  Cu  Cu114  1  0.755088  0.646982  0.543011  1
  Cu  Cu115  1  0.381848  0.272739  0.508261  1
  Cu  Cu116  1  0.381495  0.672403  0.564203  1
  Cu  Cu117  1  0.628394  0.071148  0.550020  1
  Cu  Cu118  1  0.626884  0.470698  0.605647  1
  Cu  Cu119  1  0.628123  0.222592  0.536059  1
  Cu  Cu120  1  0.627645  0.622049  0.591941  1
  Cu  Cu121  1  0.381527  0.021371  0.577688  1
  Cu  Cu122  1  0.381836  0.621871  0.521938  1
  Cu  Cu123  1  0.255175  0.447209  0.515066  1
  Cu  Cu124  1  0.254439  0.846369  0.570775  1
  Cu  Cu125  1  0.881780  0.472373  0.536226  1
  Cu  Cu126  1  0.882386  0.871185  0.591813  1
  Cu  Cu127  1  0.127915  0.270612  0.577877  1
  Cu  Cu128  1  0.128025  0.871429  0.522013  1
  Cu  Cu129  1  0.128428  0.422408  0.563853  1
  Cu  Cu130  1  0.128129  0.022982  0.508091  1
  Cu  Cu131  1  0.882783  0.220594  0.606089  1
  Cu  Cu132  1  0.881584  0.821161  0.549780  1
  Cu  Cu133  1  0.255088  0.146982  0.543011  1
  Cu  Cu134  1  0.256223  0.546325  0.598649  1
  Cu  Cu135  1  0.881495  0.172403  0.564203  1
  Cu  Cu136  1  0.881848  0.772739  0.508261  1
  Cu  Cu137  1  0.126884  0.970698  0.605647  1
  Cu  Cu138  1  0.128394  0.571148  0.550020  1
  Cu  Cu139  1  0.127645  0.122049  0.591941  1
  Cu  Cu140  1  0.128123  0.722592  0.536059  1
  Cu  Cu141  1  0.881836  0.121871  0.521938  1
  Cu  Cu142  1  0.881527  0.521371  0.577688  1
  Cu  Cu143  1  0.754439  0.346369  0.570775  1
  Cu  Cu144  1  0.755175  0.947209  0.515066  1
  Cu  Cu145  1  0.382386  0.371185  0.591813  1
  Cu  Cu146  1  0.381780  0.972373  0.536226  1
  Cu  Cu147  1  0.628025  0.371429  0.522013  1
  Cu  Cu148  1  0.627915  0.770612  0.577877  1
  Cu  Cu149  1  0.628129  0.522982  0.508091  1
  Cu  Cu150  1  0.628428  0.922408  0.563853  1
  Cu  Cu151  1  0.381584  0.321161  0.549780  1
  Cu  Cu152  1  0.382783  0.720594  0.606089  1
  Cu  Cu153  1  0.770299  0.847391  0.703893  1
  Cu  Cu154  1  0.749957  0.444591  0.653431  1
  Cu  Cu155  1  0.379375  0.071488  0.620138  1
  Cu  Cu156  1  0.386957  0.471098  0.674700  1
  Cu  Cu157  1  0.627811  0.866761  0.660621  1
  Cu  Cu158  1  0.615327  0.272870  0.716685  1
  Cu  Cu159  1  0.629348  0.021515  0.646549  1
  Cu  Cu160  1  0.621937  0.421812  0.703496  1
  Cu  Cu161  1  0.383723  0.820332  0.691515  1
  Cu  Cu162  1  0.381058  0.419918  0.633266  1
  Cu  Cu163  1  0.256200  0.246302  0.626497  1
  Cu  Cu164  1  0.252072  0.644084  0.680469  1
  Cu  Cu165  1  0.881375  0.271510  0.648659  1
  Cu  Cu166  1  0.900577  0.666864  0.703462  1
  Cu  Cu167  1  0.119717  0.070905  0.690583  1
  Cu  Cu168  1  0.127576  0.670152  0.633939  1
  Cu  Cu169  1  0.128345  0.220483  0.677232  1
  Cu  Cu170  1  0.129272  0.821212  0.619716  1
  Cu  Cu171  1  0.821139  0.017735  0.714419  1
  Cu  Cu172  1  0.878769  0.621714  0.661672  1
  Cu  Cu173  1  0.249957  0.944591  0.653431  1
  Cu  Cu174  1  0.270299  0.347391  0.703893  1
  Cu  Cu175  1  0.886957  0.971098  0.674700  1
  Cu  Cu176  1  0.879375  0.571488  0.620138  1
  Cu  Cu177  1  0.115327  0.772870  0.716685  1
  Cu  Cu178  1  0.127811  0.366761  0.660621  1
  Cu  Cu179  1  0.121937  0.921812  0.703496  1
  Cu  Cu180  1  0.129348  0.521515  0.646549  1
  Cu  Cu181  1  0.881058  0.919918  0.633266  1
  Cu  Cu182  1  0.883723  0.320332  0.691515  1
  Cu  Cu183  1  0.752072  0.144084  0.680469  1
  Cu  Cu184  1  0.756200  0.746302  0.626497  1
  Cu  Cu185  1  0.400577  0.166864  0.703462  1
  Cu  Cu186  1  0.381375  0.771510  0.648659  1
  Cu  Cu187  1  0.627576  0.170152  0.633939  1
  Cu  Cu188  1  0.619717  0.570905  0.690583  1
  Cu  Cu189  1  0.629272  0.321212  0.619716  1
  Cu  Cu190  1  0.628345  0.720483  0.677232  1
  Cu  Cu191  1  0.378769  0.121714  0.661672  1
  Cu  Cu192  1  0.321139  0.517735  0.714419  1
