# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.74368063
_cell_length_b   14.87490229
_cell_length_c   50.37564100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr96 Cu48'
_cell_volume   6551.92614556
_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  0.509995  0.225122  0.377215  1
  Zr  Zr2  1  0.822913  0.542025  0.377540  1
  Zr  Zr3  1  1.009995  0.390389  0.412932  1
  Zr  Zr4  1  0.194228  0.206155  0.413120  1
  Zr  Zr5  1  1.009995  0.147127  0.358819  1
  Zr  Zr6  1  0.697078  0.042025  0.377540  1
  Zr  Zr7  1  0.509995  0.981321  0.327252  1
  Zr  Zr8  1  0.750172  0.857742  0.296454  1
  Zr  Zr9  1  0.822198  0.668983  0.326154  1
  Zr  Zr10  1  0.197786  0.332815  0.359184  1
  Zr  Zr11  1  0.197793  0.668983  0.326154  1
  Zr  Zr12  1  0.825763  0.206155  0.413120  1
  Zr  Zr13  1  0.822204  0.332815  0.359184  1
  Zr  Zr14  1  1.009995  0.936090  0.366562  1
  Zr  Zr15  1  0.509995  0.615419  0.296112  1
  Zr  Zr16  1  0.769818  0.357742  0.296454  1
  Zr  Zr17  1  1.009995  0.725122  0.377215  1
  Zr  Zr18  1  0.322913  0.042025  0.377540  1
  Zr  Zr19  1  0.509995  0.890389  0.412932  1
  Zr  Zr20  1  0.694228  0.706155  0.413120  1
  Zr  Zr21  1  0.509995  0.647127  0.358819  1
  Zr  Zr22  1  0.197078  0.542025  0.377540  1
  Zr  Zr23  1  1.009995  0.481321  0.327252  1
  Zr  Zr24  1  0.250172  0.357742  0.296454  1
  Zr  Zr25  1  0.322198  0.168983  0.326154  1
  Zr  Zr26  1  0.697786  0.832815  0.359184  1
  Zr  Zr27  1  0.697793  0.168983  0.326154  1
  Zr  Zr28  1  0.325763  0.706155  0.413120  1
  Zr  Zr29  1  0.322204  0.832815  0.359184  1
  Zr  Zr30  1  0.509995  0.436090  0.366562  1
  Zr  Zr31  1  1.009995  0.115419  0.296112  1
  Zr  Zr32  1  0.269818  0.857742  0.296454  1
  Zr  Zr33  1  0.509995  0.877093  0.520623  1
  Zr  Zr34  1  0.825131  0.192906  0.520792  1
  Zr  Zr35  1  1.009995  0.039174  0.556820  1
  Zr  Zr36  1  0.194200  0.855433  0.556980  1
  Zr  Zr37  1  1.009995  0.800864  0.503031  1
  Zr  Zr38  1  0.694860  0.692906  0.520792  1
  Zr  Zr39  1  0.509995  0.638566  0.467232  1
  Zr  Zr40  1  0.757679  0.514729  0.439803  1
  Zr  Zr41  1  0.824915  0.323380  0.467093  1
  Zr  Zr42  1  0.194560  0.985259  0.502826  1
  Zr  Zr43  1  0.195076  0.323380  0.467093  1
  Zr  Zr44  1  0.825790  0.855433  0.556980  1
  Zr  Zr45  1  0.825431  0.985259  0.502826  1
  Zr  Zr46  1  1.009995  0.588927  0.511469  1
  Zr  Zr47  1  0.509995  0.265183  0.439595  1
  Zr  Zr48  1  0.762312  0.014729  0.439803  1
  Zr  Zr49  1  1.009995  0.377093  0.520623  1
  Zr  Zr50  1  0.325131  0.692906  0.520792  1
  Zr  Zr51  1  0.509995  0.539174  0.556820  1
  Zr  Zr52  1  0.694200  0.355433  0.556980  1
  Zr  Zr53  1  0.509995  0.300864  0.503031  1
  Zr  Zr54  1  0.194860  0.192906  0.520792  1
  Zr  Zr55  1  1.009995  0.138566  0.467232  1
  Zr  Zr56  1  0.257679  0.014729  0.439803  1
  Zr  Zr57  1  0.324915  0.823380  0.467093  1
  Zr  Zr58  1  0.694560  0.485259  0.502826  1
  Zr  Zr59  1  0.695076  0.823380  0.467093  1
  Zr  Zr60  1  0.325790  0.355433  0.556980  1
  Zr  Zr61  1  0.325431  0.485259  0.502826  1
  Zr  Zr62  1  0.509995  0.088927  0.511469  1
  Zr  Zr63  1  1.009995  0.765183  0.439595  1
  Zr  Zr64  1  0.262312  0.514729  0.439803  1
  Zr  Zr65  1  0.509995  0.535545  0.666383  1
  Zr  Zr66  1  0.820616  0.847920  0.666095  1
  Zr  Zr67  1  1.009995  0.697216  0.694070  1
  Zr  Zr68  1  0.188409  0.517923  0.694338  1
  Zr  Zr69  1  1.009995  0.453788  0.645243  1
  Zr  Zr70  1  0.699374  0.347920  0.666095  1
  Zr  Zr71  1  0.509995  0.288570  0.611684  1
  Zr  Zr72  1  0.762061  0.163605  0.583230  1
  Zr  Zr73  1  0.825792  0.972581  0.611480  1
  Zr  Zr74  1  0.198013  0.639126  0.645209  1
  Zr  Zr75  1  0.194198  0.972581  0.611480  1
  Zr  Zr76  1  0.831581  0.517923  0.694338  1
  Zr  Zr77  1  0.821978  0.639126  0.645209  1
  Zr  Zr78  1  1.009995  0.243416  0.656384  1
  Zr  Zr79  1  0.509995  0.912698  0.583414  1
  Zr  Zr80  1  0.757930  0.663605  0.583230  1
  Zr  Zr81  1  1.009995  0.035545  0.666383  1
  Zr  Zr82  1  0.320616  0.347920  0.666095  1
  Zr  Zr83  1  0.509995  0.197216  0.694070  1
  Zr  Zr84  1  0.688409  0.017923  0.694338  1
  Zr  Zr85  1  0.509995  0.953788  0.645243  1
  Zr  Zr86  1  0.199374  0.847920  0.666095  1
  Zr  Zr87  1  1.009995  0.788570  0.611684  1
  Zr  Zr88  1  0.262061  0.663605  0.583230  1
  Zr  Zr89  1  0.325792  0.472581  0.611480  1
  Zr  Zr90  1  0.698013  0.139126  0.645209  1
  Zr  Zr91  1  0.694198  0.472581  0.611480  1
  Zr  Zr92  1  0.331581  0.017923  0.694338  1
  Zr  Zr93  1  0.321978  0.139126  0.645209  1
  Zr  Zr94  1  0.509995  0.743416  0.656384  1
  Zr  Zr95  1  1.009995  0.412698  0.583414  1
  Zr  Zr96  1  0.257930  0.163605  0.583230  1
  Cu  Cu97  1  0.672039  0.377887  0.408218  1
  Cu  Cu98  1  0.509995  0.776962  0.317582  1
  Cu  Cu99  1  0.672421  0.497497  0.326187  1
  Cu  Cu100  1  0.347570  0.497497  0.326187  1
  Cu  Cu101  1  0.509995  0.441611  0.284100  1
  Cu  Cu102  1  0.509995  0.328551  0.325080  1
  Cu  Cu103  1  1.009995  0.045311  0.408832  1
  Cu  Cu104  1  0.847952  0.877887  0.408218  1
  Cu  Cu105  1  0.172039  0.877887  0.408218  1
  Cu  Cu106  1  1.009995  0.276962  0.317582  1
  Cu  Cu107  1  0.172421  0.997497  0.326187  1
  Cu  Cu108  1  0.847570  0.997497  0.326187  1
  Cu  Cu109  1  1.009995  0.941611  0.284100  1
  Cu  Cu110  1  1.009995  0.828551  0.325080  1
  Cu  Cu111  1  0.509995  0.545311  0.408832  1
  Cu  Cu112  1  0.347952  0.377887  0.408218  1
  Cu  Cu113  1  0.671666  0.026053  0.552476  1
  Cu  Cu114  1  0.509995  0.431741  0.458264  1
  Cu  Cu115  1  0.672525  0.152511  0.470642  1
  Cu  Cu116  1  0.347465  0.152511  0.470642  1
  Cu  Cu117  1  0.509995  0.096214  0.422237  1
  Cu  Cu118  1  0.509995  0.982621  0.469120  1
  Cu  Cu119  1  1.009995  0.695317  0.553892  1
  Cu  Cu120  1  0.848325  0.526053  0.552476  1
  Cu  Cu121  1  0.171666  0.526053  0.552476  1
  Cu  Cu122  1  1.009995  0.931741  0.458264  1
  Cu  Cu123  1  0.172525  0.652511  0.470642  1
  Cu  Cu124  1  0.847465  0.652511  0.470642  1
  Cu  Cu125  1  1.009995  0.596214  0.422237  1
  Cu  Cu126  1  1.009995  0.482621  0.469120  1
  Cu  Cu127  1  0.509995  0.195317  0.553892  1
  Cu  Cu128  1  0.348325  0.026053  0.552476  1
  Cu  Cu129  1  0.680899  0.688613  0.695522  1
  Cu  Cu130  1  0.509995  0.081940  0.600357  1
  Cu  Cu131  1  0.674987  0.800952  0.615388  1
  Cu  Cu132  1  0.345004  0.800952  0.615388  1
  Cu  Cu133  1  0.509995  0.746147  0.565095  1
  Cu  Cu134  1  0.509995  0.632852  0.614659  1
  Cu  Cu135  1  1.009995  0.356539  0.695794  1
  Cu  Cu136  1  0.839091  0.188613  0.695522  1
  Cu  Cu137  1  0.180899  0.188613  0.695522  1
  Cu  Cu138  1  1.009995  0.581940  0.600357  1
  Cu  Cu139  1  0.174987  0.300952  0.615388  1
  Cu  Cu140  1  0.845004  0.300952  0.615388  1
  Cu  Cu141  1  1.009995  0.246147  0.565095  1
  Cu  Cu142  1  1.009995  0.132852  0.614659  1
  Cu  Cu143  1  0.509995  0.856539  0.695794  1
  Cu  Cu144  1  0.339091  0.688613  0.695522  1
