# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.27981091
_cell_length_b   9.99993606
_cell_length_c   48.93064695
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   131.63186174
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr63 Cu63'
_cell_volume   4856.68440809
_cell_formula_units_Z   63
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  0.723829  0.443782  0.326846  1
  Zr  Zr2  1  0.390496  0.443782  0.326846  1
  Zr  Zr3  1  0.318616  0.966693  0.288300  1
  Zr  Zr4  1  0.057163  0.443782  0.326846  1
  Zr  Zr5  1  0.985283  0.966693  0.288300  1
  Zr  Zr6  1  0.022040  0.706892  0.306796  1
  Zr  Zr7  1  0.651949  0.966693  0.288300  1
  Zr  Zr8  1  0.688706  0.706892  0.306796  1
  Zr  Zr9  1  0.355373  0.706892  0.306796  1
  Zr  Zr10  1  0.825316  0.646654  0.390425  1
  Zr  Zr11  1  0.491983  0.646654  0.390425  1
  Zr  Zr12  1  0.422817  0.175061  0.348134  1
  Zr  Zr13  1  0.158649  0.646654  0.390425  1
  Zr  Zr14  1  0.089483  0.175061  0.348134  1
  Zr  Zr15  1  0.125839  0.914427  0.367961  1
  Zr  Zr16  1  0.756150  0.175061  0.348134  1
  Zr  Zr17  1  0.792506  0.914427  0.367961  1
  Zr  Zr18  1  0.459172  0.914427  0.367961  1
  Zr  Zr19  1  0.930396  0.856734  0.452820  1
  Zr  Zr20  1  0.597063  0.856734  0.452820  1
  Zr  Zr21  1  0.527222  0.383781  0.410922  1
  Zr  Zr22  1  0.263730  0.856734  0.452820  1
  Zr  Zr23  1  0.193888  0.383781  0.410922  1
  Zr  Zr24  1  0.228994  0.120637  0.431467  1
  Zr  Zr25  1  0.860555  0.383781  0.410922  1
  Zr  Zr26  1  0.895660  0.120637  0.431467  1
  Zr  Zr27  1  0.562327  0.120637  0.431467  1
  Zr  Zr28  1  0.035545  0.066950  0.515305  1
  Zr  Zr29  1  0.702212  0.066950  0.515305  1
  Zr  Zr30  1  0.632528  0.594307  0.473349  1
  Zr  Zr31  1  0.368879  0.066950  0.515305  1
  Zr  Zr32  1  0.299195  0.594307  0.473349  1
  Zr  Zr33  1  0.333979  0.330514  0.494303  1
  Zr  Zr34  1  0.965861  0.594307  0.473349  1
  Zr  Zr35  1  1.000646  0.330514  0.494303  1
  Zr  Zr36  1  0.667313  0.330514  0.494303  1
  Zr  Zr37  1  0.140573  0.276921  0.577990  1
  Zr  Zr38  1  0.807240  0.276921  0.577990  1
  Zr  Zr39  1  0.737619  0.804404  0.535871  1
  Zr  Zr40  1  0.473907  0.276921  0.577990  1
  Zr  Zr41  1  0.404286  0.804404  0.535871  1
  Zr  Zr42  1  0.439246  0.540957  0.557021  1
  Zr  Zr43  1  0.070952  0.804404  0.535871  1
  Zr  Zr44  1  0.105913  0.540957  0.557021  1
  Zr  Zr45  1  0.772580  0.540957  0.557021  1
  Zr  Zr46  1  0.245946  0.487583  0.640774  1
  Zr  Zr47  1  0.912613  0.487583  0.640774  1
  Zr  Zr48  1  0.842266  0.013613  0.598319  1
  Zr  Zr49  1  0.579279  0.487583  0.640774  1
  Zr  Zr50  1  0.508933  0.013613  0.598319  1
  Zr  Zr51  1  0.542244  0.746854  0.620317  1
  Zr  Zr52  1  0.175600  0.013613  0.598319  1
  Zr  Zr53  1  0.208910  0.746854  0.620317  1
  Zr  Zr54  1  0.875577  0.746854  0.620317  1
  Zr  Zr55  1  0.349504  0.694678  0.701013  1
  Zr  Zr56  1  0.016171  0.694678  0.701013  1
  Zr  Zr57  1  0.947460  0.223905  0.661017  1
  Zr  Zr58  1  0.682838  0.694678  0.701013  1
  Zr  Zr59  1  0.614127  0.223905  0.661017  1
  Zr  Zr60  1  0.645838  0.953981  0.681977  1
  Zr  Zr61  1  0.280793  0.223905  0.661017  1
  Zr  Zr62  1  0.312505  0.953981  0.681977  1
  Zr  Zr63  1  0.979171  0.953981  0.681977  1
  Cu  Cu64  1  0.903557  0.803229  0.338533  1
  Cu  Cu65  1  0.570224  0.803229  0.338533  1
  Cu  Cu66  1  0.499239  0.327966  0.297342  1
  Cu  Cu67  1  0.236891  0.803229  0.338533  1
  Cu  Cu68  1  0.165906  0.327966  0.297342  1
  Cu  Cu69  1  0.213393  0.089577  0.314416  1
  Cu  Cu70  1  0.832572  0.327966  0.297342  1
  Cu  Cu71  1  0.880059  0.089577  0.314416  1
  Cu  Cu72  1  0.546726  0.089577  0.314416  1
  Cu  Cu73  1  0.009031  0.014093  0.400641  1
  Cu  Cu74  1  0.675697  0.014093  0.400641  1
  Cu  Cu75  1  0.606489  0.542386  0.358593  1
  Cu  Cu76  1  0.342364  0.014093  0.400641  1
  Cu  Cu77  1  0.273156  0.542386  0.358593  1
  Cu  Cu78  1  0.309397  0.281512  0.379465  1
  Cu  Cu79  1  0.939822  0.542386  0.358593  1
  Cu  Cu80  1  0.976063  0.281512  0.379465  1
  Cu  Cu81  1  0.642730  0.281512  0.379465  1
  Cu  Cu82  1  0.114575  0.225087  0.462994  1
  Cu  Cu83  1  0.781242  0.225087  0.462994  1
  Cu  Cu84  1  0.712726  0.754771  0.420889  1
  Cu  Cu85  1  0.447909  0.225087  0.462994  1
  Cu  Cu86  1  0.379393  0.754771  0.420889  1
  Cu  Cu87  1  0.412607  0.487837  0.442263  1
  Cu  Cu88  1  0.046060  0.754771  0.420889  1
  Cu  Cu89  1  0.079274  0.487837  0.442263  1
  Cu  Cu90  1  0.745941  0.487837  0.442263  1
  Cu  Cu91  1  0.219833  0.435507  0.525717  1
  Cu  Cu92  1  0.886499  0.435507  0.525717  1
  Cu  Cu93  1  0.817051  0.963336  0.483750  1
  Cu  Cu94  1  0.553166  0.435507  0.525717  1
  Cu  Cu95  1  0.483717  0.963336  0.483750  1
  Cu  Cu96  1  0.517740  0.698019  0.504882  1
  Cu  Cu97  1  0.150384  0.963336  0.483750  1
  Cu  Cu98  1  0.184406  0.698019  0.504882  1
  Cu  Cu99  1  0.851073  0.698019  0.504882  1
  Cu  Cu100  1  0.325039  0.645825  0.588018  1
  Cu  Cu101  1  0.991706  0.645825  0.588018  1
  Cu  Cu102  1  0.922147  0.173448  0.546452  1
  Cu  Cu103  1  0.658373  0.645825  0.588018  1
  Cu  Cu104  1  0.588814  0.173448  0.546452  1
  Cu  Cu105  1  0.622360  0.907174  0.567632  1
  Cu  Cu106  1  0.255480  0.173448  0.546452  1
  Cu  Cu107  1  0.289026  0.907174  0.567632  1
  Cu  Cu108  1  0.955693  0.907174  0.567632  1
  Cu  Cu109  1  0.432262  0.860193  0.650696  1
  Cu  Cu110  1  0.098929  0.860193  0.650696  1
  Cu  Cu111  1  0.026236  0.381543  0.608754  1
  Cu  Cu112  1  0.765596  0.860193  0.650696  1
  Cu  Cu113  1  0.692903  0.381543  0.608754  1
  Cu  Cu114  1  0.727964  0.118289  0.630170  1
  Cu  Cu115  1  0.359570  0.381543  0.608754  1
  Cu  Cu116  1  0.394630  0.118289  0.630170  1
  Cu  Cu117  1  0.061297  0.118289  0.630170  1
  Cu  Cu118  1  0.536047  0.067679  0.709995  1
  Cu  Cu119  1  0.202713  0.067679  0.709995  1
  Cu  Cu120  1  0.124021  0.577049  0.674005  1
  Cu  Cu121  1  0.869380  0.067679  0.709995  1
  Cu  Cu122  1  0.790687  0.577049  0.674005  1
  Cu  Cu123  1  0.829580  0.321416  0.692772  1
  Cu  Cu124  1  0.457354  0.577049  0.674005  1
  Cu  Cu125  1  0.496247  0.321416  0.692772  1
  Cu  Cu126  1  0.162913  0.321416  0.692772  1
