# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16852609
_cell_length_b   21.86966231
_cell_length_c   48.92860982
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.27005109
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr128 Cu64'
_cell_volume   7654.44848236
_cell_formula_units_Z   64
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  0.697578  0.591025  0.314209  1
  Zr  Zr2  1  0.197578  0.091025  0.314209  1
  Zr  Zr3  1  0.279034  0.601169  0.285098  1
  Zr  Zr4  1  0.779034  0.101169  0.285098  1
  Zr  Zr5  1  0.594246  0.503394  0.267961  1
  Zr  Zr6  1  0.094246  1.003394  0.267961  1
  Zr  Zr7  1  0.013504  0.495447  0.292789  1
  Zr  Zr8  1  0.513504  0.995447  0.292789  1
  Zr  Zr9  1  0.529034  0.851169  0.285098  1
  Zr  Zr10  1  0.029034  0.351169  0.285098  1
  Zr  Zr11  1  0.947578  0.841025  0.314209  1
  Zr  Zr12  1  0.447578  0.341025  0.314209  1
  Zr  Zr13  1  0.844246  0.753394  0.267961  1
  Zr  Zr14  1  0.344246  0.253394  0.267961  1
  Zr  Zr15  1  0.263504  0.745447  0.292789  1
  Zr  Zr16  1  0.763504  0.245447  0.292789  1
  Zr  Zr17  1  0.492081  0.575364  0.373680  1
  Zr  Zr18  1  0.992081  0.075364  0.373680  1
  Zr  Zr19  1  0.094617  0.584002  0.344447  1
  Zr  Zr20  1  0.594617  0.084002  0.344447  1
  Zr  Zr21  1  0.410914  0.488081  0.324319  1
  Zr  Zr22  1  0.910914  0.988081  0.324319  1
  Zr  Zr23  1  0.815923  0.476608  0.351451  1
  Zr  Zr24  1  0.315923  0.976608  0.351451  1
  Zr  Zr25  1  0.344617  0.834002  0.344447  1
  Zr  Zr26  1  0.844617  0.334002  0.344447  1
  Zr  Zr27  1  0.742081  0.825364  0.373680  1
  Zr  Zr28  1  0.242081  0.325364  0.373680  1
  Zr  Zr29  1  0.660914  0.738081  0.324319  1
  Zr  Zr30  1  0.160914  0.238081  0.324319  1
  Zr  Zr31  1  0.065923  0.726608  0.351451  1
  Zr  Zr32  1  0.565923  0.226608  0.351451  1
  Zr  Zr33  1  0.293063  0.556673  0.432532  1
  Zr  Zr34  1  0.793063  0.056673  0.432532  1
  Zr  Zr35  1  0.891408  0.564613  0.402636  1
  Zr  Zr36  1  0.391408  0.064613  0.402636  1
  Zr  Zr37  1  0.211571  0.467935  0.382124  1
  Zr  Zr38  1  0.711571  0.967935  0.382124  1
  Zr  Zr39  1  0.611185  0.460437  0.411250  1
  Zr  Zr40  1  0.111185  0.960437  0.411250  1
  Zr  Zr41  1  0.141408  0.814613  0.402636  1
  Zr  Zr42  1  0.641408  0.314613  0.402636  1
  Zr  Zr43  1  0.543063  0.806673  0.432532  1
  Zr  Zr44  1  0.043063  0.306673  0.432532  1
  Zr  Zr45  1  0.461571  0.717935  0.382124  1
  Zr  Zr46  1  0.961571  0.217935  0.382124  1
  Zr  Zr47  1  0.861185  0.710437  0.411250  1
  Zr  Zr48  1  0.361185  0.210437  0.411250  1
  Zr  Zr49  1  0.093653  0.540181  0.491579  1
  Zr  Zr50  1  0.593653  0.040181  0.491579  1
  Zr  Zr51  1  0.695983  0.547480  0.461956  1
  Zr  Zr52  1  0.195983  0.047480  0.461956  1
  Zr  Zr53  1  0.014946  0.451207  0.441486  1
  Zr  Zr54  1  0.514946  0.951207  0.441486  1
  Zr  Zr55  1  0.415625  0.442841  0.470723  1
  Zr  Zr56  1  0.915625  0.942841  0.470723  1
  Zr  Zr57  1  0.945983  0.797480  0.461956  1
  Zr  Zr58  1  0.445983  0.297480  0.461956  1
  Zr  Zr59  1  0.343653  0.790181  0.491579  1
  Zr  Zr60  1  0.843653  0.290181  0.491579  1
  Zr  Zr61  1  0.264946  0.701207  0.441486  1
  Zr  Zr62  1  0.764946  0.201207  0.441486  1
  Zr  Zr63  1  0.665625  0.692841  0.470723  1
  Zr  Zr64  1  0.165625  0.192841  0.470723  1
  Zr  Zr65  1  0.894506  0.521537  0.550211  1
  Zr  Zr66  1  0.394506  0.021537  0.550211  1
  Zr  Zr67  1  0.493827  0.529903  0.520974  1
  Zr  Zr68  1  0.993827  0.029903  0.520974  1
  Zr  Zr69  1  0.815799  0.432563  0.500118  1
  Zr  Zr70  1  0.315799  0.932563  0.500118  1
  Zr  Zr71  1  0.213469  0.425264  0.529741  1
  Zr  Zr72  1  0.713469  0.925264  0.529741  1
  Zr  Zr73  1  0.743827  0.779903  0.520974  1
  Zr  Zr74  1  0.243827  0.279903  0.520974  1
  Zr  Zr75  1  0.144506  0.771537  0.550211  1
  Zr  Zr76  1  0.644506  0.271537  0.550211  1
  Zr  Zr77  1  0.065799  0.682563  0.500118  1
  Zr  Zr78  1  0.565799  0.182563  0.500118  1
  Zr  Zr79  1  0.463469  0.675264  0.529741  1
  Zr  Zr80  1  0.963469  0.175264  0.529741  1
  Zr  Zr81  1  0.697881  0.504809  0.609573  1
  Zr  Zr82  1  0.197881  1.004809  0.609573  1
  Zr  Zr83  1  0.298267  0.512308  0.580447  1
  Zr  Zr84  1  0.798267  0.012308  0.580447  1
  Zr  Zr85  1  0.616389  0.416071  0.559165  1
  Zr  Zr86  1  0.116389  0.916071  0.559165  1
  Zr  Zr87  1  0.018044  0.408131  0.589061  1
  Zr  Zr88  1  0.518044  0.908131  0.589061  1
  Zr  Zr89  1  0.548267  0.762308  0.580447  1
  Zr  Zr90  1  0.048267  0.262308  0.580447  1
  Zr  Zr91  1  0.947881  0.754809  0.609573  1
  Zr  Zr92  1  0.447881  0.254809  0.609573  1
  Zr  Zr93  1  0.866389  0.666071  0.559165  1
  Zr  Zr94  1  0.366389  0.166071  0.559165  1
  Zr  Zr95  1  0.268044  0.658131  0.589061  1
  Zr  Zr96  1  0.768044  0.158131  0.589061  1
  Zr  Zr97  1  0.498538  0.484663  0.667378  1
  Zr  Zr98  1  0.998538  0.984663  0.667378  1
  Zr  Zr99  1  0.093529  0.496136  0.640246  1
  Zr  Zr100  1  0.593529  0.996136  0.640246  1
  Zr  Zr101  1  0.417371  0.397380  0.618017  1
  Zr  Zr102  1  0.917371  0.897380  0.618017  1
  Zr  Zr103  1  0.814835  0.388742  0.647250  1
  Zr  Zr104  1  0.314835  0.888742  0.647250  1
  Zr  Zr105  1  0.343529  0.746136  0.640246  1
  Zr  Zr106  1  0.843529  0.246136  0.640246  1
  Zr  Zr107  1  0.748538  0.734663  0.667378  1
  Zr  Zr108  1  0.248538  0.234663  0.667378  1
  Zr  Zr109  1  0.667371  0.647380  0.618017  1
  Zr  Zr110  1  0.167371  0.147380  0.618017  1
  Zr  Zr111  1  0.064835  0.638742  0.647250  1
  Zr  Zr112  1  0.564835  0.138742  0.647250  1
  Zr  Zr113  1  0.315206  0.469350  0.723736  1
  Zr  Zr114  1  0.815206  0.969350  0.723736  1
  Zr  Zr115  1  0.895948  0.477297  0.698908  1
  Zr  Zr116  1  0.395948  0.977297  0.698908  1
  Zr  Zr117  1  0.211874  0.381719  0.677487  1
  Zr  Zr118  1  0.711874  0.881719  0.677487  1
  Zr  Zr119  1  0.630418  0.371575  0.706599  1
  Zr  Zr120  1  0.130418  0.871575  0.706599  1
  Zr  Zr121  1  0.145948  0.727297  0.698908  1
  Zr  Zr122  1  0.645948  0.227297  0.698908  1
  Zr  Zr123  1  0.565206  0.719350  0.723736  1
  Zr  Zr124  1  0.065206  0.219350  0.723736  1
  Zr  Zr125  1  0.461874  0.631719  0.677487  1
  Zr  Zr126  1  0.961874  0.131719  0.677487  1
  Zr  Zr127  1  0.880418  0.621575  0.706599  1
  Zr  Zr128  1  0.380418  0.121575  0.706599  1
  Cu  Cu129  1  0.576946  0.674837  0.278533  1
  Cu  Cu130  1  0.076946  0.174837  0.278533  1
  Cu  Cu131  1  0.967820  0.668050  0.303480  1
  Cu  Cu132  1  0.467820  0.168050  0.303480  1
  Cu  Cu133  1  0.717820  0.418050  0.303480  1
  Cu  Cu134  1  0.217820  0.918050  0.303480  1
  Cu  Cu135  1  0.326946  0.424837  0.278533  1
  Cu  Cu136  1  0.826946  0.924837  0.278533  1
  Cu  Cu137  1  0.385495  0.659214  0.331912  1
  Cu  Cu138  1  0.885495  0.159214  0.331912  1
  Cu  Cu139  1  0.779604  0.650923  0.362634  1
  Cu  Cu140  1  0.279604  0.150923  0.362634  1
  Cu  Cu141  1  0.529604  0.400923  0.362634  1
  Cu  Cu142  1  0.029604  0.900923  0.362634  1
  Cu  Cu143  1  0.135495  0.409214  0.331912  1
  Cu  Cu144  1  0.635495  0.909214  0.331912  1
  Cu  Cu145  1  0.172842  0.642689  0.393435  1
  Cu  Cu146  1  0.672842  0.142689  0.393435  1
  Cu  Cu147  1  0.579906  0.633074  0.422623  1
  Cu  Cu148  1  0.079906  0.133074  0.422623  1
  Cu  Cu149  1  0.329906  0.383074  0.422623  1
  Cu  Cu150  1  0.829906  0.883074  0.422623  1
  Cu  Cu151  1  0.922842  0.392689  0.393435  1
  Cu  Cu152  1  0.422842  0.892689  0.393435  1
  Cu  Cu153  1  0.977439  0.624903  0.450637  1
  Cu  Cu154  1  0.477439  0.124903  0.450637  1
  Cu  Cu155  1  0.384941  0.615401  0.481034  1
  Cu  Cu156  1  0.884941  0.115401  0.481034  1
  Cu  Cu157  1  0.134941  0.365401  0.481034  1
  Cu  Cu158  1  0.634941  0.865401  0.481034  1
  Cu  Cu159  1  0.727439  0.374903  0.450637  1
  Cu  Cu160  1  0.227439  0.874903  0.450637  1
  Cu  Cu161  1  0.774511  0.607343  0.510662  1
  Cu  Cu162  1  0.274511  0.107343  0.510662  1
  Cu  Cu163  1  0.182013  0.597842  0.541060  1
  Cu  Cu164  1  0.682013  0.097842  0.541060  1
  Cu  Cu165  1  0.932013  0.347842  0.541060  1
  Cu  Cu166  1  0.432013  0.847842  0.541060  1
  Cu  Cu167  1  0.524511  0.357343  0.510662  1
  Cu  Cu168  1  0.024511  0.857343  0.510662  1
  Cu  Cu169  1  0.579546  0.589670  0.569074  1
  Cu  Cu170  1  0.079546  0.089670  0.569074  1
  Cu  Cu171  1  0.986610  0.580055  0.598262  1
  Cu  Cu172  1  0.486610  0.080055  0.598262  1
  Cu  Cu173  1  0.736610  0.330055  0.598262  1
  Cu  Cu174  1  0.236610  0.830055  0.598262  1
  Cu  Cu175  1  0.329546  0.339670  0.569074  1
  Cu  Cu176  1  0.829546  0.839670  0.569074  1
  Cu  Cu177  1  0.379848  0.571822  0.629062  1
  Cu  Cu178  1  0.879848  0.071822  0.629062  1
  Cu  Cu179  1  0.773957  0.563530  0.659785  1
  Cu  Cu180  1  0.273957  0.063530  0.659785  1
  Cu  Cu181  1  0.523957  0.313530  0.659785  1
  Cu  Cu182  1  0.023957  0.813530  0.659785  1
  Cu  Cu183  1  0.129848  0.321822  0.629062  1
  Cu  Cu184  1  0.629848  0.821822  0.629062  1
  Cu  Cu185  1  0.191632  0.554694  0.688217  1
  Cu  Cu186  1  0.691632  0.054694  0.688217  1
  Cu  Cu187  1  0.582506  0.547907  0.713164  1
  Cu  Cu188  1  0.082506  0.047907  0.713164  1
  Cu  Cu189  1  0.332506  0.297907  0.713164  1
  Cu  Cu190  1  0.832506  0.797907  0.713164  1
  Cu  Cu191  1  0.941632  0.304694  0.688217  1
  Cu  Cu192  1  0.441632  0.804694  0.688217  1
