# generated using pymatgen
data_ZrCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91354468
_cell_length_b   9.79698494
_cell_length_c   53.88435791
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu5
_chemical_formula_sum   'Zr20 Cu100'
_cell_volume   3649.68957288
_cell_formula_units_Z   20
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  0.254455  0.063053  0.308038  1
  Zr  Zr2  1  0.748471  0.312499  0.352075  1
  Zr  Zr3  1  0.748471  0.813606  0.352075  1
  Zr  Zr4  1  0.251777  0.563053  0.307991  1
  Zr  Zr5  1  0.252485  0.563053  0.398046  1
  Zr  Zr6  1  0.751335  0.813049  0.443569  1
  Zr  Zr7  1  0.751335  0.313056  0.443569  1
  Zr  Zr8  1  0.252459  0.063053  0.398071  1
  Zr  Zr9  1  0.251496  0.063053  0.489145  1
  Zr  Zr10  1  0.751422  0.313015  0.534772  1
  Zr  Zr11  1  0.751422  0.813090  0.534772  1
  Zr  Zr12  1  0.251487  0.563053  0.489137  1
  Zr  Zr13  1  0.251387  0.563053  0.580189  1
  Zr  Zr14  1  0.752439  0.813407  0.625896  1
  Zr  Zr15  1  0.752439  0.312699  0.625896  1
  Zr  Zr16  1  0.251395  0.063053  0.580206  1
  Zr  Zr17  1  0.246823  0.063053  0.672300  1
  Zr  Zr18  1  0.764814  0.319648  0.713185  1
  Zr  Zr19  1  0.764814  0.806458  0.713185  1
  Zr  Zr20  1  0.248449  0.563053  0.672091  1
  Cu  Cu21  1  0.500260  0.563053  0.270128  1
  Cu  Cu22  1  0.126683  0.937468  0.352493  1
  Cu  Cu23  1  0.343321  0.321355  0.283985  1
  Cu  Cu24  1  0.375889  0.312031  0.329058  1
  Cu  Cu25  1  0.126683  0.188637  0.352493  1
  Cu  Cu26  1  1.000636  0.813731  0.310187  1
  Cu  Cu27  1  0.629392  0.689869  0.306537  1
  Cu  Cu28  1  0.874803  0.563053  0.328934  1
  Cu  Cu29  1  0.914854  0.063053  0.284917  1
  Cu  Cu30  1  0.627475  0.938248  0.305828  1
  Cu  Cu31  1  1.000636  0.312375  0.310187  1
  Cu  Cu32  1  0.627475  0.187858  0.305828  1
  Cu  Cu33  1  0.872851  0.063053  0.328993  1
  Cu  Cu34  1  0.891948  0.563053  0.283728  1
  Cu  Cu35  1  0.629392  0.436237  0.306537  1
  Cu  Cu36  1  0.501779  0.563053  0.352505  1
  Cu  Cu37  1  0.126565  0.437080  0.352555  1
  Cu  Cu38  1  0.343321  0.804751  0.283985  1
  Cu  Cu39  1  0.375889  0.814074  0.329058  1
  Cu  Cu40  1  0.126565  0.689025  0.352555  1
  Cu  Cu41  1  0.502031  0.063053  0.352495  1
  Cu  Cu42  1  0.127154  0.437436  0.443522  1
  Cu  Cu43  1  0.376095  0.813043  0.374903  1
  Cu  Cu44  1  0.375578  0.813011  0.420869  1
  Cu  Cu45  1  0.127154  0.688669  0.443522  1
  Cu  Cu46  1  1.000685  0.313077  0.398040  1
  Cu  Cu47  1  0.627598  0.187587  0.398034  1
  Cu  Cu48  1  0.875827  0.063053  0.420620  1
  Cu  Cu49  1  0.874580  0.563053  0.375079  1
  Cu  Cu50  1  0.627599  0.438511  0.398004  1
  Cu  Cu51  1  1.000685  0.813029  0.398040  1
  Cu  Cu52  1  0.627599  0.687595  0.398004  1
  Cu  Cu53  1  0.875807  0.563053  0.420592  1
  Cu  Cu54  1  0.874892  0.063053  0.375154  1
  Cu  Cu55  1  0.627598  0.938519  0.398034  1
  Cu  Cu56  1  0.501607  0.063053  0.443576  1
  Cu  Cu57  1  0.127194  0.937415  0.443536  1
  Cu  Cu58  1  0.376095  0.313062  0.374903  1
  Cu  Cu59  1  0.375578  0.313095  0.420869  1
  Cu  Cu60  1  0.127194  0.188691  0.443536  1
  Cu  Cu61  1  0.501632  0.563053  0.443560  1
  Cu  Cu62  1  0.127271  0.937414  0.534710  1
  Cu  Cu63  1  0.375575  0.313062  0.466237  1
  Cu  Cu64  1  0.375737  0.313065  0.512068  1
  Cu  Cu65  1  0.127271  0.188692  0.534710  1
  Cu  Cu66  1  1.001368  0.813047  0.489147  1
  Cu  Cu67  1  0.627375  0.687463  0.489155  1
  Cu  Cu68  1  0.875635  0.563053  0.511818  1
  Cu  Cu69  1  0.875654  0.063053  0.466453  1
  Cu  Cu70  1  0.627369  0.938639  0.489159  1
  Cu  Cu71  1  1.001368  0.313059  0.489147  1
  Cu  Cu72  1  0.627369  0.187466  0.489159  1
  Cu  Cu73  1  0.875629  0.063053  0.511827  1
  Cu  Cu74  1  0.875622  0.563053  0.466437  1
  Cu  Cu75  1  0.627375  0.438642  0.489155  1
  Cu  Cu76  1  0.501529  0.563053  0.534712  1
  Cu  Cu77  1  0.127253  0.437401  0.534705  1
  Cu  Cu78  1  0.375575  0.813044  0.466237  1
  Cu  Cu79  1  0.375737  0.813041  0.512068  1
  Cu  Cu80  1  0.127253  0.688704  0.534705  1
  Cu  Cu81  1  0.501494  0.063053  0.534720  1
  Cu  Cu82  1  0.128522  0.437599  0.625703  1
  Cu  Cu83  1  0.375688  0.813073  0.557451  1
  Cu  Cu84  1  0.375851  0.813112  0.603306  1
  Cu  Cu85  1  0.128522  0.688506  0.625703  1
  Cu  Cu86  1  0.001608  0.313041  0.580381  1
  Cu  Cu87  1  0.627152  0.187410  0.580430  1
  Cu  Cu88  1  0.875734  0.063053  0.603014  1
  Cu  Cu89  1  0.875346  0.563053  0.557630  1
  Cu  Cu90  1  0.627185  0.438609  0.580424  1
  Cu  Cu91  1  0.001608  0.813064  0.580381  1
  Cu  Cu92  1  0.627185  0.687497  0.580424  1
  Cu  Cu93  1  0.875851  0.563053  0.602949  1
  Cu  Cu94  1  0.875444  0.063053  0.557657  1
  Cu  Cu95  1  0.627152  0.938695  0.580430  1
  Cu  Cu96  1  0.499643  0.063053  0.625849  1
  Cu  Cu97  1  0.128402  0.937982  0.625822  1
  Cu  Cu98  1  0.375688  0.313033  0.557451  1
  Cu  Cu99  1  0.375851  0.312993  0.603306  1
  Cu  Cu100  1  0.128402  0.188123  0.625822  1
  Cu  Cu101  1  0.499383  0.563053  0.625583  1
  Cu  Cu102  1  0.118757  0.935375  0.716315  1
  Cu  Cu103  1  0.373795  0.312145  0.648973  1
  Cu  Cu104  1  0.377319  0.314433  0.695560  1
  Cu  Cu105  1  0.118757  0.190730  0.716315  1
  Cu  Cu106  1  0.005861  0.814201  0.670891  1
  Cu  Cu107  1  0.626772  0.686989  0.670730  1
  Cu  Cu108  1  0.877246  0.563053  0.695150  1
  Cu  Cu109  1  0.877107  0.063053  0.649105  1
  Cu  Cu110  1  0.627167  0.938755  0.671016  1
  Cu  Cu111  1  0.005861  0.311905  0.670891  1
  Cu  Cu112  1  0.627167  0.187350  0.671016  1
  Cu  Cu113  1  0.876495  0.063053  0.695118  1
  Cu  Cu114  1  0.878010  0.563053  0.648887  1
  Cu  Cu115  1  0.626772  0.439116  0.670730  1
  Cu  Cu116  1  0.501029  0.563053  0.711059  1
  Cu  Cu117  1  0.131513  0.438912  0.716678  1
  Cu  Cu118  1  0.373795  0.813961  0.648973  1
  Cu  Cu119  1  0.377319  0.811673  0.695560  1
  Cu  Cu120  1  0.131513  0.687193  0.716678  1
