# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55807814
_cell_length_b   21.09984218
_cell_length_c   47.99953660
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.90535609
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr112 Cu56'
_cell_volume   7635.1515
_cell_formula_units_Z   56
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  0.525319  0.825435  0.309290  1
  Zr  Zr2  1  0.025319  0.325435  0.309290  1
  Zr  Zr3  1  0.936814  0.819107  0.338996  1
  Zr  Zr4  1  0.436814  0.319107  0.338996  1
  Zr  Zr5  1  0.831137  0.732233  0.292138  1
  Zr  Zr6  1  0.331137  0.232233  0.292138  1
  Zr  Zr7  1  0.247985  0.725756  0.317934  1
  Zr  Zr8  1  0.747985  0.225756  0.317934  1
  Zr  Zr9  1  0.686814  0.569107  0.338996  1
  Zr  Zr10  1  0.186814  0.069107  0.338996  1
  Zr  Zr11  1  0.275319  0.575435  0.309290  1
  Zr  Zr12  1  0.775319  0.075435  0.309290  1
  Zr  Zr13  1  0.581137  0.482233  0.292138  1
  Zr  Zr14  1  0.081137  0.982233  0.292138  1
  Zr  Zr15  1  0.997985  0.475756  0.317934  1
  Zr  Zr16  1  0.497985  0.975756  0.317934  1
  Zr  Zr17  1  0.338549  0.807999  0.371078  1
  Zr  Zr18  1  0.838549  0.307999  0.371078  1
  Zr  Zr19  1  0.740395  0.797649  0.402010  1
  Zr  Zr20  1  0.240395  0.297649  0.402010  1
  Zr  Zr21  1  0.655798  0.714466  0.349180  1
  Zr  Zr22  1  0.155798  0.214466  0.349180  1
  Zr  Zr23  1  0.059272  0.703392  0.378826  1
  Zr  Zr24  1  0.559272  0.203392  0.378826  1
  Zr  Zr25  1  0.490395  0.547649  0.402010  1
  Zr  Zr26  1  0.990395  0.047649  0.402010  1
  Zr  Zr27  1  0.088549  0.557999  0.371078  1
  Zr  Zr28  1  0.588549  0.057999  0.371078  1
  Zr  Zr29  1  0.405798  0.464466  0.349180  1
  Zr  Zr30  1  0.905798  0.964466  0.349180  1
  Zr  Zr31  1  0.809272  0.453392  0.378826  1
  Zr  Zr32  1  0.309272  0.953392  0.378826  1
  Zr  Zr33  1  0.142891  0.787002  0.433348  1
  Zr  Zr34  1  0.642891  0.287002  0.433348  1
  Zr  Zr35  1  0.545931  0.777077  0.464716  1
  Zr  Zr36  1  0.045931  0.277077  0.464716  1
  Zr  Zr37  1  0.459946  0.693507  0.411166  1
  Zr  Zr38  1  0.959946  0.193507  0.411166  1
  Zr  Zr39  1  0.864070  0.683620  0.442390  1
  Zr  Zr40  1  0.364070  0.183620  0.442390  1
  Zr  Zr41  1  0.295931  0.527077  0.464716  1
  Zr  Zr42  1  0.795931  0.027077  0.464716  1
  Zr  Zr43  1  0.892891  0.537002  0.433348  1
  Zr  Zr44  1  0.392891  0.037002  0.433348  1
  Zr  Zr45  1  0.209946  0.443507  0.411166  1
  Zr  Zr46  1  0.709946  0.943507  0.411166  1
  Zr  Zr47  1  0.614070  0.433620  0.442390  1
  Zr  Zr48  1  0.114070  0.933620  0.442390  1
  Zr  Zr49  1  0.948675  0.766677  0.496253  1
  Zr  Zr50  1  0.448675  0.266677  0.496253  1
  Zr  Zr51  1  0.351381  0.756578  0.527665  1
  Zr  Zr52  1  0.851381  0.256578  0.527665  1
  Zr  Zr53  1  0.267193  0.673324  0.474244  1
  Zr  Zr54  1  0.767193  0.173324  0.474244  1
  Zr  Zr55  1  0.669899  0.663225  0.505655  1
  Zr  Zr56  1  0.169899  0.163225  0.505655  1
  Zr  Zr57  1  0.101381  0.506578  0.527665  1
  Zr  Zr58  1  0.601381  0.006578  0.527665  1
  Zr  Zr59  1  0.698675  0.516677  0.496253  1
  Zr  Zr60  1  0.198675  0.016677  0.496253  1
  Zr  Zr61  1  0.017193  0.423324  0.474244  1
  Zr  Zr62  1  0.517193  0.923324  0.474244  1
  Zr  Zr63  1  0.419899  0.413225  0.505655  1
  Zr  Zr64  1  0.919899  0.913225  0.505655  1
  Zr  Zr65  1  0.754505  0.746282  0.559519  1
  Zr  Zr66  1  0.254505  0.246282  0.559519  1
  Zr  Zr67  1  0.158628  0.736395  0.590743  1
  Zr  Zr68  1  0.658628  0.236395  0.590743  1
  Zr  Zr69  1  0.072643  0.652825  0.537192  1
  Zr  Zr70  1  0.572643  0.152825  0.537192  1
  Zr  Zr71  1  0.475683  0.642900  0.568561  1
  Zr  Zr72  1  0.975683  0.142900  0.568561  1
  Zr  Zr73  1  0.908628  0.486395  0.590743  1
  Zr  Zr74  1  0.408628  0.986395  0.590743  1
  Zr  Zr75  1  0.504505  0.496282  0.559519  1
  Zr  Zr76  1  0.004505  0.996282  0.559519  1
  Zr  Zr77  1  0.822643  0.402825  0.537192  1
  Zr  Zr78  1  0.322643  0.902825  0.537192  1
  Zr  Zr79  1  0.225683  0.392900  0.568561  1
  Zr  Zr80  1  0.725683  0.892900  0.568561  1
  Zr  Zr81  1  0.559302  0.726510  0.623082  1
  Zr  Zr82  1  0.059302  0.226510  0.623082  1
  Zr  Zr83  1  0.962776  0.715436  0.652729  1
  Zr  Zr84  1  0.462776  0.215436  0.652729  1
  Zr  Zr85  1  0.878179  0.632253  0.599898  1
  Zr  Zr86  1  0.378179  0.132253  0.599898  1
  Zr  Zr87  1  0.280025  0.621903  0.630830  1
  Zr  Zr88  1  0.780025  0.121903  0.630830  1
  Zr  Zr89  1  0.712776  0.465436  0.652729  1
  Zr  Zr90  1  0.212776  0.965436  0.652729  1
  Zr  Zr91  1  0.309302  0.476510  0.623082  1
  Zr  Zr92  1  0.809302  0.976510  0.623082  1
  Zr  Zr93  1  0.628179  0.382253  0.599898  1
  Zr  Zr94  1  0.128179  0.882253  0.599898  1
  Zr  Zr95  1  0.030025  0.371903  0.630830  1
  Zr  Zr96  1  0.530025  0.871903  0.630830  1
  Zr  Zr97  1  0.370589  0.704146  0.683975  1
  Zr  Zr98  1  0.870589  0.204146  0.683975  1
  Zr  Zr99  1  0.787437  0.697669  0.709771  1
  Zr  Zr100  1  0.287437  0.197669  0.709771  1
  Zr  Zr101  1  0.681760  0.610795  0.662913  1
  Zr  Zr102  1  0.181760  0.110795  0.662913  1
  Zr  Zr103  1  0.093256  0.604467  0.692619  1
  Zr  Zr104  1  0.593256  0.104467  0.692619  1
  Zr  Zr105  1  0.537437  0.447669  0.709771  1
  Zr  Zr106  1  0.037437  0.947669  0.709771  1
  Zr  Zr107  1  0.120589  0.454146  0.683975  1
  Zr  Zr108  1  0.620589  0.954146  0.683975  1
  Zr  Zr109  1  0.431760  0.360795  0.662913  1
  Zr  Zr110  1  0.931760  0.860795  0.662913  1
  Zr  Zr111  1  0.843256  0.354467  0.692619  1
  Zr  Zr112  1  0.343256  0.854467  0.692619  1
  Cu  Cu113  1  0.720588  0.393047  0.327576  1
  Cu  Cu114  1  0.220588  0.893047  0.327576  1
  Cu  Cu115  1  0.296928  0.406142  0.299721  1
  Cu  Cu116  1  0.796928  0.906142  0.299721  1
  Cu  Cu117  1  0.546928  0.656142  0.299721  1
  Cu  Cu118  1  0.046928  0.156142  0.299721  1
  Cu  Cu119  1  0.970588  0.643047  0.327576  1
  Cu  Cu120  1  0.470588  0.143047  0.327576  1
  Cu  Cu121  1  0.524644  0.375729  0.390796  1
  Cu  Cu122  1  0.024644  0.875729  0.390796  1
  Cu  Cu123  1  0.126017  0.385476  0.358407  1
  Cu  Cu124  1  0.626017  0.885476  0.358407  1
  Cu  Cu125  1  0.376017  0.635476  0.358407  1
  Cu  Cu126  1  0.876017  0.135476  0.358407  1
  Cu  Cu127  1  0.774644  0.625729  0.390796  1
  Cu  Cu128  1  0.274644  0.125729  0.390796  1
  Cu  Cu129  1  0.330256  0.355417  0.453779  1
  Cu  Cu130  1  0.830256  0.855417  0.453779  1
  Cu  Cu131  1  0.926188  0.366033  0.422556  1
  Cu  Cu132  1  0.426188  0.866033  0.422556  1
  Cu  Cu133  1  0.176188  0.616033  0.422556  1
  Cu  Cu134  1  0.676188  0.116033  0.422556  1
  Cu  Cu135  1  0.580256  0.605417  0.453779  1
  Cu  Cu136  1  0.080256  0.105417  0.453779  1
  Cu  Cu137  1  0.135984  0.334510  0.516728  1
  Cu  Cu138  1  0.635984  0.834510  0.516728  1
  Cu  Cu139  1  0.732590  0.345392  0.485181  1
  Cu  Cu140  1  0.232590  0.845392  0.485181  1
  Cu  Cu141  1  0.982590  0.595392  0.485181  1
  Cu  Cu142  1  0.482590  0.095392  0.485181  1
  Cu  Cu143  1  0.385984  0.584510  0.516728  1
  Cu  Cu144  1  0.885984  0.084510  0.516728  1
  Cu  Cu145  1  0.942386  0.313869  0.579352  1
  Cu  Cu146  1  0.442386  0.813869  0.579352  1
  Cu  Cu147  1  0.538318  0.324485  0.548129  1
  Cu  Cu148  1  0.038318  0.824485  0.548129  1
  Cu  Cu149  1  0.788318  0.574485  0.548129  1
  Cu  Cu150  1  0.288318  0.074485  0.548129  1
  Cu  Cu151  1  0.192386  0.563869  0.579352  1
  Cu  Cu152  1  0.692386  0.063869  0.579352  1
  Cu  Cu153  1  0.742557  0.294426  0.643502  1
  Cu  Cu154  1  0.242557  0.794426  0.643502  1
  Cu  Cu155  1  0.343930  0.304173  0.611112  1
  Cu  Cu156  1  0.843930  0.804173  0.611112  1
  Cu  Cu157  1  0.593930  0.554173  0.611112  1
  Cu  Cu158  1  0.093930  0.054173  0.611112  1
  Cu  Cu159  1  0.992557  0.544426  0.643502  1
  Cu  Cu160  1  0.492557  0.044426  0.643502  1
  Cu  Cu161  1  0.571647  0.273760  0.702187  1
  Cu  Cu162  1  0.071647  0.773760  0.702187  1
  Cu  Cu163  1  0.147987  0.286855  0.674332  1
  Cu  Cu164  1  0.647987  0.786855  0.674332  1
  Cu  Cu165  1  0.397987  0.536855  0.674332  1
  Cu  Cu166  1  0.897987  0.036855  0.674332  1
  Cu  Cu167  1  0.821647  0.523760  0.702187  1
  Cu  Cu168  1  0.321647  0.023760  0.702187  1
