# generated using pymatgen
data_Zr3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.23696141
_cell_length_b   15.54769274
_cell_length_c   49.81415786
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Cu
_chemical_formula_sum   'Zr144 Cu48'
_cell_volume   8718.0026943
_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  0.445234  0.112353  0.312547  1
  Zr  Zr2  1  0.945234  0.112353  0.312547  1
  Zr  Zr3  1  0.897479  0.518549  0.299379  1
  Zr  Zr4  1  0.381449  0.887669  0.296945  1
  Zr  Zr5  1  0.397479  0.518549  0.299379  1
  Zr  Zr6  1  0.881449  0.887669  0.296945  1
  Zr  Zr7  1  0.704145  0.138186  0.319128  1
  Zr  Zr8  1  0.204145  0.138186  0.319128  1
  Zr  Zr9  1  0.146324  0.519041  0.299856  1
  Zr  Zr10  1  0.659834  0.944574  0.290808  1
  Zr  Zr11  1  0.646324  0.519041  0.299856  1
  Zr  Zr12  1  0.159834  0.944574  0.290808  1
  Zr  Zr13  1  0.660594  0.321382  0.310562  1
  Zr  Zr14  1  0.160594  0.321382  0.310562  1
  Zr  Zr15  1  0.117425  0.714630  0.292983  1
  Zr  Zr16  1  0.264262  0.960237  0.345821  1
  Zr  Zr17  1  0.617425  0.714630  0.292983  1
  Zr  Zr18  1  0.764262  0.960237  0.345821  1
  Zr  Zr19  1  0.199861  0.090525  0.381288  1
  Zr  Zr20  1  0.699861  0.090525  0.381288  1
  Zr  Zr21  1  0.611305  0.434937  0.355610  1
  Zr  Zr22  1  0.021330  0.801862  0.334125  1
  Zr  Zr23  1  0.111305  0.434937  0.355610  1
  Zr  Zr24  1  0.521330  0.801862  0.334125  1
  Zr  Zr25  1  0.456979  0.091980  0.381279  1
  Zr  Zr26  1  0.956979  0.091980  0.381279  1
  Zr  Zr27  1  0.852909  0.418355  0.354231  1
  Zr  Zr28  1  0.252028  0.763707  0.345134  1
  Zr  Zr29  1  0.352909  0.418355  0.354231  1
  Zr  Zr30  1  0.752028  0.763707  0.345134  1
  Zr  Zr31  1  0.415241  0.248110  0.353643  1
  Zr  Zr32  1  0.915241  0.248110  0.353643  1
  Zr  Zr33  1  0.832208  0.608126  0.347419  1
  Zr  Zr34  1  0.958251  0.880093  0.384590  1
  Zr  Zr35  1  0.332208  0.608126  0.347419  1
  Zr  Zr36  1  0.458251  0.880093  0.384590  1
  Zr  Zr37  1  0.881731  0.968598  0.431937  1
  Zr  Zr38  1  0.381731  0.968598  0.431937  1
  Zr  Zr39  1  0.309049  0.307927  0.408098  1
  Zr  Zr40  1  0.772555  0.679719  0.401180  1
  Zr  Zr41  1  0.809049  0.307927  0.408098  1
  Zr  Zr42  1  0.272555  0.679719  0.401180  1
  Zr  Zr43  1  0.128952  0.957094  0.429896  1
  Zr  Zr44  1  0.628952  0.957094  0.429896  1
  Zr  Zr45  1  0.557237  0.308062  0.407482  1
  Zr  Zr46  1  0.034019  0.703011  0.387033  1
  Zr  Zr47  1  0.057237  0.308062  0.407482  1
  Zr  Zr48  1  0.534019  0.703011  0.387033  1
  Zr  Zr49  1  0.107933  0.142408  0.435576  1
  Zr  Zr50  1  0.607933  0.142408  0.435576  1
  Zr  Zr51  1  0.524579  0.509076  0.403150  1
  Zr  Zr52  1  0.666286  0.777369  0.441229  1
  Zr  Zr53  1  0.024579  0.509076  0.403150  1
  Zr  Zr54  1  0.166286  0.777369  0.441229  1
  Zr  Zr55  1  0.585096  0.875205  0.486610  1
  Zr  Zr56  1  0.085096  0.875205  0.486610  1
  Zr  Zr57  1  0.019942  0.260439  0.470743  1
  Zr  Zr58  1  0.424361  0.616727  0.441750  1
  Zr  Zr59  1  0.519942  0.260439  0.470743  1
  Zr  Zr60  1  0.924361  0.616727  0.441750  1
  Zr  Zr61  1  0.833638  0.874845  0.487476  1
  Zr  Zr62  1  0.333638  0.874845  0.487476  1
  Zr  Zr63  1  0.280897  0.268869  0.474230  1
  Zr  Zr64  1  0.659449  0.589930  0.456643  1
  Zr  Zr65  1  0.780897  0.268869  0.474230  1
  Zr  Zr66  1  0.159449  0.589930  0.456643  1
  Zr  Zr67  1  0.793576  0.065404  0.475700  1
  Zr  Zr68  1  0.293576  0.065404  0.475700  1
  Zr  Zr69  1  0.232032  0.427703  0.449753  1
  Zr  Zr70  1  0.369501  0.682813  0.495350  1
  Zr  Zr71  1  0.732032  0.427703  0.449753  1
  Zr  Zr72  1  0.869501  0.682813  0.495350  1
  Zr  Zr73  1  0.289185  0.778023  0.542364  1
  Zr  Zr74  1  0.789185  0.778023  0.542364  1
  Zr  Zr75  1  0.719073  0.146053  0.524911  1
  Zr  Zr76  1  0.176817  0.485340  0.508425  1
  Zr  Zr77  1  0.219073  0.146053  0.524911  1
  Zr  Zr78  1  0.676817  0.485340  0.508425  1
  Zr  Zr79  1  0.540165  0.780809  0.541991  1
  Zr  Zr80  1  0.040165  0.780809  0.541991  1
  Zr  Zr81  1  0.967019  0.139169  0.521679  1
  Zr  Zr82  1  0.427622  0.498418  0.494450  1
  Zr  Zr83  1  0.467019  0.139169  0.521679  1
  Zr  Zr84  1  0.927622  0.498418  0.494450  1
  Zr  Zr85  1  0.504657  0.960686  0.534205  1
  Zr  Zr86  1  0.004657  0.960686  0.534205  1
  Zr  Zr87  1  0.945785  0.329415  0.524865  1
  Zr  Zr88  1  0.069066  0.595309  0.543820  1
  Zr  Zr89  1  0.445785  0.329415  0.524865  1
  Zr  Zr90  1  0.569066  0.595309  0.543820  1
  Zr  Zr91  1  0.991390  0.677620  0.595240  1
  Zr  Zr92  1  0.491390  0.677620  0.595240  1
  Zr  Zr93  1  0.418677  0.051315  0.578663  1
  Zr  Zr94  1  0.832711  0.438168  0.556519  1
  Zr  Zr95  1  0.918677  0.051315  0.578663  1
  Zr  Zr96  1  0.332711  0.438168  0.556519  1
  Zr  Zr97  1  0.234018  0.664645  0.595809  1
  Zr  Zr98  1  0.734018  0.664645  0.595809  1
  Zr  Zr99  1  0.670569  0.054362  0.580266  1
  Zr  Zr100  1  0.092901  0.434739  0.572890  1
  Zr  Zr101  1  0.170569  0.054362  0.580266  1
  Zr  Zr102  1  0.592901  0.434739  0.572890  1
  Zr  Zr103  1  0.209055  0.864357  0.589168  1
  Zr  Zr104  1  0.709055  0.864357  0.589168  1
  Zr  Zr105  1  0.626709  0.243728  0.569779  1
  Zr  Zr106  1  0.797804  0.495873  0.615981  1
  Zr  Zr107  1  0.126709  0.243728  0.569779  1
  Zr  Zr108  1  0.297804  0.495873  0.615981  1
  Zr  Zr109  1  0.711038  0.592007  0.658274  1
  Zr  Zr110  1  0.211038  0.592007  0.658274  1
  Zr  Zr111  1  0.126470  0.956227  0.634721  1
  Zr  Zr112  1  0.581829  0.311837  0.624967  1
  Zr  Zr113  1  0.626470  0.956227  0.634721  1
  Zr  Zr114  1  0.081829  0.311837  0.624967  1
  Zr  Zr115  1  0.990026  0.634680  0.655669  1
  Zr  Zr116  1  0.490026  0.634680  0.655669  1
  Zr  Zr117  1  0.384315  0.966720  0.634892  1
  Zr  Zr118  1  0.843143  0.322594  0.606183  1
  Zr  Zr119  1  0.884315  0.966720  0.634892  1
  Zr  Zr120  1  0.343143  0.322594  0.606183  1
  Zr  Zr121  1  0.898813  0.778391  0.639697  1
  Zr  Zr122  1  0.398813  0.778391  0.639697  1
  Zr  Zr123  1  0.343638  0.141629  0.626675  1
  Zr  Zr124  1  0.459537  0.420317  0.659623  1
  Zr  Zr125  1  0.843638  0.141629  0.626675  1
  Zr  Zr126  1  0.959537  0.420317  0.659623  1
  Zr  Zr127  1  0.370386  0.519551  0.704759  1
  Zr  Zr128  1  0.870386  0.519551  0.704759  1
  Zr  Zr129  1  0.830172  0.868455  0.688693  1
  Zr  Zr130  1  0.234337  0.242777  0.663250  1
  Zr  Zr131  1  0.330172  0.868455  0.688693  1
  Zr  Zr132  1  0.734337  0.242777  0.663250  1
  Zr  Zr133  1  0.605146  0.482828  0.711825  1
  Zr  Zr134  1  0.105146  0.482828  0.711825  1
  Zr  Zr135  1  0.073890  0.851937  0.687398  1
  Zr  Zr136  1  0.459830  0.217052  0.679673  1
  Zr  Zr137  1  0.573890  0.851937  0.687398  1
  Zr  Zr138  1  0.959830  0.217052  0.679673  1
  Zr  Zr139  1  0.635787  0.685300  0.706453  1
  Zr  Zr140  1  0.135787  0.685300  0.706453  1
  Zr  Zr141  1  0.056510  0.058664  0.681394  1
  Zr  Zr142  1  0.169658  0.311727  0.714792  1
  Zr  Zr143  1  0.556510  0.058664  0.681394  1
  Zr  Zr144  1  0.669658  0.311727  0.714792  1
  Cu  Cu145  1  0.934399  0.346664  0.309305  1
  Cu  Cu146  1  0.434399  0.346664  0.309305  1
  Cu  Cu147  1  0.353995  0.697361  0.297498  1
  Cu  Cu148  1  0.524457  0.983016  0.338511  1
  Cu  Cu149  1  0.853995  0.697361  0.297498  1
  Cu  Cu150  1  0.024457  0.983016  0.338511  1
  Cu  Cu151  1  0.652316  0.246310  0.361688  1
  Cu  Cu152  1  0.152316  0.246310  0.361688  1
  Cu  Cu153  1  0.064084  0.595507  0.343981  1
  Cu  Cu154  1  0.216257  0.870416  0.390772  1
  Cu  Cu155  1  0.564084  0.595507  0.343981  1
  Cu  Cu156  1  0.716257  0.870416  0.390772  1
  Cu  Cu157  1  0.354985  0.150132  0.426053  1
  Cu  Cu158  1  0.854985  0.150132  0.426053  1
  Cu  Cu159  1  0.773113  0.497718  0.398846  1
  Cu  Cu160  1  0.919288  0.794136  0.442158  1
  Cu  Cu161  1  0.273113  0.497718  0.398846  1
  Cu  Cu162  1  0.419288  0.794136  0.442158  1
  Cu  Cu163  1  0.043724  0.046494  0.480923  1
  Cu  Cu164  1  0.543724  0.046494  0.480923  1
  Cu  Cu165  1  0.477797  0.411366  0.451503  1
  Cu  Cu166  1  0.621569  0.699520  0.496068  1
  Cu  Cu167  1  0.977797  0.411366  0.451503  1
  Cu  Cu168  1  0.121569  0.699520  0.496068  1
  Cu  Cu169  1  0.752298  0.962040  0.533294  1
  Cu  Cu170  1  0.252298  0.962040  0.533294  1
  Cu  Cu171  1  0.181157  0.318300  0.516850  1
  Cu  Cu172  1  0.325217  0.605898  0.549980  1
  Cu  Cu173  1  0.681157  0.318300  0.516850  1
  Cu  Cu174  1  0.825217  0.605898  0.549980  1
  Cu  Cu175  1  0.459718  0.870080  0.587651  1
  Cu  Cu176  1  0.959718  0.870080  0.587651  1
  Cu  Cu177  1  0.883981  0.219900  0.569525  1
  Cu  Cu178  1  0.033832  0.515874  0.612727  1
  Cu  Cu179  1  0.383981  0.219900  0.569525  1
  Cu  Cu180  1  0.533832  0.515874  0.612727  1
  Cu  Cu181  1  0.173748  0.786960  0.642292  1
  Cu  Cu182  1  0.673748  0.786960  0.642292  1
  Cu  Cu183  1  0.586996  0.132319  0.624051  1
  Cu  Cu184  1  0.710743  0.413485  0.667425  1
  Cu  Cu185  1  0.086996  0.132319  0.624051  1
  Cu  Cu186  1  0.210743  0.413485  0.667425  1
  Cu  Cu187  1  0.872356  0.696932  0.697101  1
  Cu  Cu188  1  0.372356  0.696932  0.697101  1
  Cu  Cu189  1  0.283907  0.034495  0.677644  1
  Cu  Cu190  1  0.394737  0.337611  0.709518  1
  Cu  Cu191  1  0.783907  0.034495  0.677644  1
  Cu  Cu192  1  0.894737  0.337611  0.709518  1
