# generated using pymatgen
data_Zr3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.22241244
_cell_length_b   15.53422152
_cell_length_c   49.76157661
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.90653073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Cu
_chemical_formula_sum   'Zr144 Cu48'
_cell_volume   8690.90948586
_cell_formula_units_Z   48
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  0.325165  0.308715  0.317902  1
  Zr  Zr2  1  0.825165  0.308715  0.317902  1
  Zr  Zr3  1  0.391183  0.676603  0.300713  1
  Zr  Zr4  1  0.456727  0.045747  0.283532  1
  Zr  Zr5  1  0.891183  0.676603  0.300713  1
  Zr  Zr6  1  0.956727  0.045747  0.283532  1
  Zr  Zr7  1  0.539370  0.132457  0.328338  1
  Zr  Zr8  1  0.039370  0.132457  0.328338  1
  Zr  Zr9  1  0.605062  0.495588  0.309657  1
  Zr  Zr10  1  0.670461  0.862636  0.291574  1
  Zr  Zr11  1  0.105062  0.495588  0.309657  1
  Zr  Zr12  1  0.170461  0.862636  0.291574  1
  Zr  Zr13  1  0.287340  0.132389  0.328343  1
  Zr  Zr14  1  0.787340  0.132389  0.328343  1
  Zr  Zr15  1  0.358255  0.495543  0.309665  1
  Zr  Zr16  1  0.425767  0.862648  0.291582  1
  Zr  Zr17  1  0.858255  0.495543  0.309665  1
  Zr  Zr18  1  0.925767  0.862648  0.291582  1
  Zr  Zr19  1  0.118635  0.221844  0.375095  1
  Zr  Zr20  1  0.618635  0.221844  0.375095  1
  Zr  Zr21  1  0.187066  0.584918  0.355992  1
  Zr  Zr22  1  0.254841  0.949340  0.338077  1
  Zr  Zr23  1  0.687066  0.584918  0.355992  1
  Zr  Zr24  1  0.754841  0.949340  0.338077  1
  Zr  Zr25  1  0.334142  0.040469  0.384509  1
  Zr  Zr26  1  0.834142  0.040469  0.384509  1
  Zr  Zr27  1  0.402021  0.402990  0.364878  1
  Zr  Zr28  1  0.470326  0.767600  0.346878  1
  Zr  Zr29  1  0.902021  0.402990  0.364878  1
  Zr  Zr30  1  0.970326  0.767600  0.346878  1
  Zr  Zr31  1  0.084432  0.040478  0.384508  1
  Zr  Zr32  1  0.584432  0.040478  0.384508  1
  Zr  Zr33  1  0.154063  0.402994  0.364878  1
  Zr  Zr34  1  0.221143  0.767583  0.346880  1
  Zr  Zr35  1  0.654063  0.402994  0.364878  1
  Zr  Zr36  1  0.721143  0.767583  0.346880  1
  Zr  Zr37  1  0.914071  0.130919  0.430892  1
  Zr  Zr38  1  0.414071  0.130919  0.430892  1
  Zr  Zr39  1  0.982627  0.493810  0.411682  1
  Zr  Zr40  1  0.050563  0.857944  0.393699  1
  Zr  Zr41  1  0.482627  0.493810  0.411682  1
  Zr  Zr42  1  0.550563  0.857944  0.393699  1
  Zr  Zr43  1  0.130041  0.948974  0.440026  1
  Zr  Zr44  1  0.630041  0.948974  0.440026  1
  Zr  Zr45  1  0.198152  0.312889  0.421258  1
  Zr  Zr46  1  0.266181  0.676382  0.402734  1
  Zr  Zr47  1  0.698152  0.312889  0.421258  1
  Zr  Zr48  1  0.766181  0.676382  0.402734  1
  Zr  Zr49  1  0.880061  0.948970  0.440027  1
  Zr  Zr50  1  0.380061  0.948970  0.440027  1
  Zr  Zr51  1  0.948033  0.312881  0.421257  1
  Zr  Zr52  1  0.016489  0.676383  0.402733  1
  Zr  Zr53  1  0.448033  0.312881  0.421257  1
  Zr  Zr54  1  0.516489  0.676383  0.402733  1
  Zr  Zr55  1  0.709562  0.039950  0.486354  1
  Zr  Zr56  1  0.209562  0.039950  0.486354  1
  Zr  Zr57  1  0.777783  0.403504  0.467641  1
  Zr  Zr58  1  0.845899  0.767263  0.449251  1
  Zr  Zr59  1  0.277783  0.403504  0.467641  1
  Zr  Zr60  1  0.345899  0.767263  0.449251  1
  Zr  Zr61  1  0.925455  0.858394  0.495757  1
  Zr  Zr62  1  0.425455  0.858394  0.495757  1
  Zr  Zr63  1  0.993651  0.221875  0.477087  1
  Zr  Zr64  1  0.061842  0.585161  0.458289  1
  Zr  Zr65  1  0.493651  0.221875  0.477087  1
  Zr  Zr66  1  0.561842  0.585161  0.458289  1
  Zr  Zr67  1  0.675222  0.858396  0.495756  1
  Zr  Zr68  1  0.175222  0.858396  0.495756  1
  Zr  Zr69  1  0.743540  0.221876  0.477088  1
  Zr  Zr70  1  0.812060  0.585160  0.458289  1
  Zr  Zr71  1  0.243540  0.221876  0.477088  1
  Zr  Zr72  1  0.312060  0.585160  0.458289  1
  Zr  Zr73  1  0.504804  0.949466  0.542498  1
  Zr  Zr74  1  0.004804  0.949466  0.542498  1
  Zr  Zr75  1  0.573352  0.312358  0.523452  1
  Zr  Zr76  1  0.641354  0.676357  0.504733  1
  Zr  Zr77  1  0.073352  0.312358  0.523452  1
  Zr  Zr78  1  0.141354  0.676357  0.504733  1
  Zr  Zr79  1  0.720711  0.767553  0.551345  1
  Zr  Zr80  1  0.220711  0.767553  0.551345  1
  Zr  Zr81  1  0.789180  0.130295  0.532771  1
  Zr  Zr82  1  0.857367  0.494325  0.514000  1
  Zr  Zr83  1  0.289180  0.130295  0.532771  1
  Zr  Zr84  1  0.357367  0.494325  0.514000  1
  Zr  Zr85  1  0.470807  0.767555  0.551345  1
  Zr  Zr86  1  0.970807  0.767555  0.551345  1
  Zr  Zr87  1  0.539600  0.130296  0.532771  1
  Zr  Zr88  1  0.607369  0.494324  0.513998  1
  Zr  Zr89  1  0.039600  0.130296  0.532771  1
  Zr  Zr90  1  0.107369  0.494324  0.513998  1
  Zr  Zr91  1  0.300279  0.858523  0.597954  1
  Zr  Zr92  1  0.800279  0.858523  0.597954  1
  Zr  Zr93  1  0.368875  0.221331  0.578755  1
  Zr  Zr94  1  0.436642  0.585784  0.560164  1
  Zr  Zr95  1  0.868875  0.221331  0.578755  1
  Zr  Zr96  1  0.936642  0.585784  0.560164  1
  Zr  Zr97  1  0.516740  0.676176  0.606849  1
  Zr  Zr98  1  0.016740  0.676176  0.606849  1
  Zr  Zr99  1  0.584789  0.040561  0.589056  1
  Zr  Zr100  1  0.652849  0.403349  0.569693  1
  Zr  Zr101  1  0.084789  0.040561  0.589056  1
  Zr  Zr102  1  0.152849  0.403349  0.569693  1
  Zr  Zr103  1  0.266169  0.676173  0.606847  1
  Zr  Zr104  1  0.766169  0.676173  0.606847  1
  Zr  Zr105  1  0.333750  0.040559  0.589055  1
  Zr  Zr106  1  0.402849  0.403353  0.569694  1
  Zr  Zr107  1  0.833750  0.040559  0.589055  1
  Zr  Zr108  1  0.902849  0.403353  0.569694  1
  Zr  Zr109  1  0.095929  0.767261  0.653687  1
  Zr  Zr110  1  0.595929  0.767261  0.653687  1
  Zr  Zr111  1  0.163507  0.132089  0.636415  1
  Zr  Zr112  1  0.232413  0.494198  0.615785  1
  Zr  Zr113  1  0.663507  0.132089  0.636415  1
  Zr  Zr114  1  0.732413  0.494198  0.615785  1
  Zr  Zr115  1  0.312099  0.584948  0.662604  1
  Zr  Zr116  1  0.812099  0.584948  0.662604  1
  Zr  Zr117  1  0.380533  0.948738  0.644904  1
  Zr  Zr118  1  0.448851  0.310139  0.625292  1
  Zr  Zr119  1  0.880533  0.948738  0.644904  1
  Zr  Zr120  1  0.948851  0.310139  0.625292  1
  Zr  Zr121  1  0.061965  0.584993  0.662605  1
  Zr  Zr122  1  0.561965  0.584993  0.662605  1
  Zr  Zr123  1  0.129815  0.948754  0.644903  1
  Zr  Zr124  1  0.200068  0.310148  0.625289  1
  Zr  Zr125  1  0.629815  0.948754  0.644903  1
  Zr  Zr126  1  0.700068  0.310148  0.625289  1
  Zr  Zr127  1  0.893954  0.671048  0.709185  1
  Zr  Zr128  1  0.393954  0.671048  0.709185  1
  Zr  Zr129  1  0.958445  0.042300  0.690772  1
  Zr  Zr130  1  0.027168  0.404759  0.669280  1
  Zr  Zr131  1  0.458445  0.042300  0.690772  1
  Zr  Zr132  1  0.527168  0.404759  0.669280  1
  Zr  Zr133  1  0.116767  0.484083  0.716019  1
  Zr  Zr134  1  0.616767  0.484083  0.716019  1
  Zr  Zr135  1  0.179339  0.854473  0.700072  1
  Zr  Zr136  1  0.244273  0.224676  0.682905  1
  Zr  Zr137  1  0.679339  0.854473  0.700072  1
  Zr  Zr138  1  0.744273  0.224676  0.682905  1
  Zr  Zr139  1  0.857965  0.483909  0.715991  1
  Zr  Zr140  1  0.357965  0.483909  0.715991  1
  Zr  Zr141  1  0.925467  0.854460  0.700065  1
  Zr  Zr142  1  0.990418  0.224695  0.682897  1
  Zr  Zr143  1  0.425467  0.854460  0.700065  1
  Zr  Zr144  1  0.490418  0.224695  0.682897  1
  Cu  Cu145  1  0.572088  0.314914  0.322196  1
  Cu  Cu146  1  0.072088  0.314914  0.322196  1
  Cu  Cu147  1  0.639771  0.679496  0.303881  1
  Cu  Cu148  1  0.712544  0.034064  0.286944  1
  Cu  Cu149  1  0.139771  0.679496  0.303881  1
  Cu  Cu150  1  0.212544  0.034064  0.286944  1
  Cu  Cu151  1  0.368654  0.221789  0.374845  1
  Cu  Cu152  1  0.868654  0.221789  0.374845  1
  Cu  Cu153  1  0.436722  0.585587  0.356253  1
  Cu  Cu154  1  0.504264  0.950557  0.338094  1
  Cu  Cu155  1  0.936722  0.585587  0.356253  1
  Cu  Cu156  1  0.004264  0.950557  0.338094  1
  Cu  Cu157  1  0.164048  0.130979  0.430742  1
  Cu  Cu158  1  0.664048  0.130979  0.430742  1
  Cu  Cu159  1  0.232269  0.494518  0.411876  1
  Cu  Cu160  1  0.300466  0.858132  0.393602  1
  Cu  Cu161  1  0.732269  0.494518  0.411876  1
  Cu  Cu162  1  0.800466  0.858132  0.393602  1
  Cu  Cu163  1  0.959630  0.039814  0.486452  1
  Cu  Cu164  1  0.459630  0.039814  0.486452  1
  Cu  Cu165  1  0.027709  0.403647  0.467676  1
  Cu  Cu166  1  0.095966  0.767130  0.449219  1
  Cu  Cu167  1  0.527709  0.403647  0.467676  1
  Cu  Cu168  1  0.595966  0.767130  0.449219  1
  Cu  Cu169  1  0.755095  0.948891  0.542166  1
  Cu  Cu170  1  0.255095  0.948891  0.542166  1
  Cu  Cu171  1  0.823285  0.312496  0.523398  1
  Cu  Cu172  1  0.891284  0.676495  0.504788  1
  Cu  Cu173  1  0.323285  0.312496  0.523398  1
  Cu  Cu174  1  0.391284  0.676495  0.504788  1
  Cu  Cu175  1  0.550393  0.858307  0.598055  1
  Cu  Cu176  1  0.050393  0.858307  0.598055  1
  Cu  Cu177  1  0.618907  0.221264  0.579125  1
  Cu  Cu178  1  0.686652  0.585752  0.560242  1
  Cu  Cu179  1  0.118907  0.221264  0.579125  1
  Cu  Cu180  1  0.186652  0.585752  0.560242  1
  Cu  Cu181  1  0.346304  0.766469  0.653533  1
  Cu  Cu182  1  0.846304  0.766469  0.653533  1
  Cu  Cu183  1  0.414251  0.130587  0.635393  1
  Cu  Cu184  1  0.482035  0.494948  0.615346  1
  Cu  Cu185  1  0.914251  0.130587  0.635393  1
  Cu  Cu186  1  0.982035  0.494948  0.615346  1
  Cu  Cu187  1  0.144206  0.670620  0.705775  1
  Cu  Cu188  1  0.644206  0.670620  0.705775  1
  Cu  Cu189  1  0.210724  0.037695  0.687896  1
  Cu  Cu190  1  0.277800  0.403349  0.669880  1
  Cu  Cu191  1  0.710724  0.037695  0.687896  1
  Cu  Cu192  1  0.777800  0.403349  0.669880  1
