# generated using pymatgen
data_ZrCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79373266
_cell_length_b   15.45929819
_cell_length_c   50.79952806
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu5
_chemical_formula_sum   'Zr40 Cu200'
_cell_volume   7296.57333211
_cell_formula_units_Z   40
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  0.462155  0.943647  0.354474  1
  Zr  Zr2  1  0.240761  0.500936  0.309381  1
  Zr  Zr3  1  0.129296  0.777826  0.289618  1
  Zr  Zr4  1  0.352138  0.223631  0.331762  1
  Zr  Zr5  1  0.629296  0.777826  0.289618  1
  Zr  Zr6  1  0.852138  0.223631  0.331762  1
  Zr  Zr7  1  0.962155  0.943647  0.354474  1
  Zr  Zr8  1  0.740761  0.500936  0.309381  1
  Zr  Zr9  1  0.906643  0.832661  0.445461  1
  Zr  Zr10  1  0.684061  0.387485  0.399866  1
  Zr  Zr11  1  0.573273  0.665894  0.377435  1
  Zr  Zr12  1  0.795571  0.110511  0.422390  1
  Zr  Zr13  1  0.073273  0.665894  0.377435  1
  Zr  Zr14  1  0.295571  0.110511  0.422390  1
  Zr  Zr15  1  0.406643  0.832661  0.445461  1
  Zr  Zr16  1  0.184061  0.387485  0.399866  1
  Zr  Zr17  1  0.350911  0.721234  0.536576  1
  Zr  Zr18  1  0.128762  0.276919  0.491127  1
  Zr  Zr19  1  0.017564  0.554512  0.468328  1
  Zr  Zr20  1  0.239952  0.999308  0.513910  1
  Zr  Zr21  1  0.517564  0.554512  0.468328  1
  Zr  Zr22  1  0.739952  0.999308  0.513910  1
  Zr  Zr23  1  0.850911  0.721234  0.536576  1
  Zr  Zr24  1  0.628762  0.276919  0.491127  1
  Zr  Zr25  1  0.795136  0.609717  0.628199  1
  Zr  Zr26  1  0.573149  0.165730  0.582319  1
  Zr  Zr27  1  0.461926  0.443272  0.559418  1
  Zr  Zr28  1  0.684460  0.888360  0.604439  1
  Zr  Zr29  1  0.961926  0.443272  0.559418  1
  Zr  Zr30  1  0.184460  0.888360  0.604439  1
  Zr  Zr31  1  0.295136  0.609717  0.628199  1
  Zr  Zr32  1  0.073149  0.165730  0.582319  1
  Zr  Zr33  1  0.240182  0.499897  0.713135  1
  Zr  Zr34  1  0.017590  0.054618  0.673779  1
  Zr  Zr35  1  0.906851  0.333159  0.651875  1
  Zr  Zr36  1  0.128184  0.775835  0.694638  1
  Zr  Zr37  1  0.406851  0.333159  0.651875  1
  Zr  Zr38  1  0.628184  0.775835  0.694638  1
  Zr  Zr39  1  0.740182  0.499897  0.713135  1
  Zr  Zr40  1  0.517590  0.054618  0.673779  1
  Cu  Cu41  1  0.434076  0.887481  0.302020  1
  Cu  Cu42  1  0.656954  0.333280  0.342357  1
  Cu  Cu43  1  0.643123  0.053882  0.313570  1
  Cu  Cu44  1  0.865351  0.498736  0.360095  1
  Cu  Cu45  1  0.720107  0.959414  0.279418  1
  Cu  Cu46  1  0.949051  0.417455  0.325474  1
  Cu  Cu47  1  0.199271  0.917879  0.325813  1
  Cu  Cu48  1  0.984765  0.489035  0.282772  1
  Cu  Cu49  1  0.391437  0.053877  0.313575  1
  Cu  Cu50  1  0.614025  0.498732  0.360095  1
  Cu  Cu51  1  0.545809  0.610980  0.322831  1
  Cu  Cu52  1  0.326147  0.171600  0.282869  1
  Cu  Cu53  1  0.755005  0.775261  0.337131  1
  Cu  Cu54  1  0.532308  0.334458  0.291869  1
  Cu  Cu55  1  0.836771  0.692729  0.299724  1
  Cu  Cu56  1  0.059615  0.138541  0.347920  1
  Cu  Cu57  1  0.309533  0.638420  0.347671  1
  Cu  Cu58  1  0.088973  0.197287  0.302239  1
  Cu  Cu59  1  0.500941  0.775259  0.337130  1
  Cu  Cu60  1  0.282766  0.334463  0.291872  1
  Cu  Cu61  1  0.045809  0.610980  0.322831  1
  Cu  Cu62  1  0.826147  0.171600  0.282869  1
  Cu  Cu63  1  0.255005  0.775261  0.337131  1
  Cu  Cu64  1  0.032308  0.334458  0.291869  1
  Cu  Cu65  1  0.336771  0.692729  0.299724  1
  Cu  Cu66  1  0.559615  0.138541  0.347920  1
  Cu  Cu67  1  0.809533  0.638420  0.347671  1
  Cu  Cu68  1  0.588973  0.197287  0.302239  1
  Cu  Cu69  1  1.000941  0.775259  0.337130  1
  Cu  Cu70  1  0.782766  0.334463  0.291872  1
  Cu  Cu71  1  0.934076  0.887481  0.302020  1
  Cu  Cu72  1  0.156954  0.333280  0.342357  1
  Cu  Cu73  1  0.143123  0.053882  0.313570  1
  Cu  Cu74  1  0.365351  0.498736  0.360095  1
  Cu  Cu75  1  0.220107  0.959414  0.279418  1
  Cu  Cu76  1  0.449051  0.417455  0.325474  1
  Cu  Cu77  1  0.699271  0.917879  0.325813  1
  Cu  Cu78  1  0.484765  0.489035  0.282772  1
  Cu  Cu79  1  0.891437  0.053877  0.313575  1
  Cu  Cu80  1  0.114025  0.498732  0.360095  1
  Cu  Cu81  1  0.878917  0.777190  0.389185  1
  Cu  Cu82  1  0.100978  0.221334  0.434105  1
  Cu  Cu83  1  0.087743  0.943540  0.405599  1
  Cu  Cu84  1  0.309664  0.387480  0.451145  1
  Cu  Cu85  1  0.170683  0.860677  0.371542  1
  Cu  Cu86  1  0.392701  0.304748  0.417070  1
  Cu  Cu87  1  0.643048  0.805466  0.417027  1
  Cu  Cu88  1  0.420911  0.361186  0.371245  1
  Cu  Cu89  1  0.836441  0.943542  0.405596  1
  Cu  Cu90  1  0.058439  0.387481  0.451142  1
  Cu  Cu91  1  0.989834  0.499040  0.411477  1
  Cu  Cu92  1  0.768169  0.055677  0.365549  1
  Cu  Cu93  1  0.198731  0.665447  0.428449  1
  Cu  Cu94  1  0.976695  0.220904  0.382525  1
  Cu  Cu95  1  0.281737  0.582810  0.394382  1
  Cu  Cu96  1  0.504136  0.027626  0.439840  1
  Cu  Cu97  1  0.753898  0.527178  0.439705  1
  Cu  Cu98  1  0.531874  0.083109  0.393732  1
  Cu  Cu99  1  0.947351  0.665447  0.428446  1
  Cu  Cu100  1  0.724851  0.220906  0.382523  1
  Cu  Cu101  1  0.489834  0.499040  0.411477  1
  Cu  Cu102  1  0.268169  0.055677  0.365549  1
  Cu  Cu103  1  0.698731  0.665447  0.428449  1
  Cu  Cu104  1  0.476695  0.220904  0.382525  1
  Cu  Cu105  1  0.781737  0.582810  0.394382  1
  Cu  Cu106  1  0.004136  0.027626  0.439840  1
  Cu  Cu107  1  0.253898  0.527178  0.439705  1
  Cu  Cu108  1  0.031874  0.083109  0.393732  1
  Cu  Cu109  1  0.447351  0.665447  0.428446  1
  Cu  Cu110  1  0.224851  0.220906  0.382523  1
  Cu  Cu111  1  0.378917  0.777190  0.389185  1
  Cu  Cu112  1  0.600978  0.221334  0.434105  1
  Cu  Cu113  1  0.587743  0.943540  0.405599  1
  Cu  Cu114  1  0.809664  0.387480  0.451145  1
  Cu  Cu115  1  0.670683  0.860677  0.371542  1
  Cu  Cu116  1  0.892701  0.304748  0.417070  1
  Cu  Cu117  1  0.143048  0.805466  0.417027  1
  Cu  Cu118  1  0.920911  0.361186  0.371245  1
  Cu  Cu119  1  0.336441  0.943542  0.405596  1
  Cu  Cu120  1  0.558439  0.387481  0.451142  1
  Cu  Cu121  1  0.323182  0.665757  0.479709  1
  Cu  Cu122  1  0.545525  0.110462  0.525226  1
  Cu  Cu123  1  0.532071  0.832260  0.496671  1
  Cu  Cu124  1  0.754136  0.276544  0.542473  1
  Cu  Cu125  1  0.614984  0.749329  0.462776  1
  Cu  Cu126  1  0.837262  0.193905  0.508358  1
  Cu  Cu127  1  0.087290  0.693987  0.508081  1
  Cu  Cu128  1  0.865060  0.249511  0.462463  1
  Cu  Cu129  1  0.280796  0.832262  0.496668  1
  Cu  Cu130  1  0.502997  0.276545  0.542470  1
  Cu  Cu131  1  0.434232  0.387867  0.502493  1
  Cu  Cu132  1  0.212288  0.943960  0.456900  1
  Cu  Cu133  1  0.643038  0.554155  0.519544  1
  Cu  Cu134  1  0.420812  0.109974  0.473895  1
  Cu  Cu135  1  0.725992  0.471354  0.485566  1
  Cu  Cu136  1  0.948382  0.916154  0.531041  1
  Cu  Cu137  1  0.198370  0.416156  0.531018  1
  Cu  Cu138  1  0.976334  0.972067  0.485231  1
  Cu  Cu139  1  0.391715  0.554156  0.519541  1
  Cu  Cu140  1  0.169775  0.109975  0.473892  1
  Cu  Cu141  1  0.934232  0.387867  0.502493  1
  Cu  Cu142  1  0.712288  0.943960  0.456900  1
  Cu  Cu143  1  0.143038  0.554155  0.519544  1
  Cu  Cu144  1  0.920812  0.109974  0.473895  1
  Cu  Cu145  1  0.225992  0.471354  0.485566  1
  Cu  Cu146  1  0.448382  0.916154  0.531041  1
  Cu  Cu147  1  0.698370  0.416156  0.531018  1
  Cu  Cu148  1  0.476334  0.972067  0.485231  1
  Cu  Cu149  1  0.891715  0.554156  0.519541  1
  Cu  Cu150  1  0.669775  0.109975  0.473892  1
  Cu  Cu151  1  0.823182  0.665757  0.479709  1
  Cu  Cu152  1  0.045525  0.110462  0.525226  1
  Cu  Cu153  1  0.032071  0.832260  0.496671  1
  Cu  Cu154  1  0.254136  0.276544  0.542473  1
  Cu  Cu155  1  0.114984  0.749329  0.462776  1
  Cu  Cu156  1  0.337262  0.193905  0.508358  1
  Cu  Cu157  1  0.587290  0.693987  0.508081  1
  Cu  Cu158  1  0.365060  0.249511  0.462463  1
  Cu  Cu159  1  0.780796  0.832262  0.496668  1
  Cu  Cu160  1  0.002997  0.276545  0.542470  1
  Cu  Cu161  1  0.767433  0.554294  0.571067  1
  Cu  Cu162  1  0.990105  0.999656  0.616306  1
  Cu  Cu163  1  0.975939  0.720373  0.587782  1
  Cu  Cu164  1  0.198903  0.165850  0.633812  1
  Cu  Cu165  1  0.059243  0.637882  0.553887  1
  Cu  Cu166  1  0.281829  0.083076  0.599673  1
  Cu  Cu167  1  0.531465  0.582373  0.599225  1
  Cu  Cu168  1  0.309680  0.138785  0.553810  1
  Cu  Cu169  1  0.725004  0.720374  0.587780  1
  Cu  Cu170  1  0.947499  0.165851  0.633809  1
  Cu  Cu171  1  0.878870  0.277177  0.594120  1
  Cu  Cu172  1  0.656408  0.832235  0.547906  1
  Cu  Cu173  1  0.086895  0.442615  0.610745  1
  Cu  Cu174  1  0.865653  0.999198  0.565104  1
  Cu  Cu175  1  0.170388  0.360182  0.576939  1
  Cu  Cu176  1  0.392632  0.804691  0.621959  1
  Cu  Cu177  1  0.642738  0.304931  0.622539  1
  Cu  Cu178  1  0.420584  0.860603  0.576221  1
  Cu  Cu179  1  0.836277  0.442616  0.610742  1
  Cu  Cu180  1  0.614124  0.999199  0.565100  1
  Cu  Cu181  1  0.378870  0.277177  0.594120  1
  Cu  Cu182  1  0.156408  0.832235  0.547906  1
  Cu  Cu183  1  0.586895  0.442615  0.610745  1
  Cu  Cu184  1  0.365653  0.999198  0.565104  1
  Cu  Cu185  1  0.670388  0.360182  0.576939  1
  Cu  Cu186  1  0.892632  0.804691  0.621959  1
  Cu  Cu187  1  0.142738  0.304931  0.622539  1
  Cu  Cu188  1  0.920584  0.860603  0.576221  1
  Cu  Cu189  1  0.336277  0.442616  0.610742  1
  Cu  Cu190  1  0.114124  0.999199  0.565100  1
  Cu  Cu191  1  0.267433  0.554294  0.571067  1
  Cu  Cu192  1  0.490105  0.999656  0.616306  1
  Cu  Cu193  1  0.475939  0.720373  0.587782  1
  Cu  Cu194  1  0.698903  0.165850  0.633812  1
  Cu  Cu195  1  0.559243  0.637882  0.553887  1
  Cu  Cu196  1  0.781829  0.083076  0.599673  1
  Cu  Cu197  1  0.031465  0.582373  0.599225  1
  Cu  Cu198  1  0.809680  0.138785  0.553810  1
  Cu  Cu199  1  0.225004  0.720374  0.587780  1
  Cu  Cu200  1  0.447499  0.165851  0.633809  1
  Cu  Cu201  1  0.211082  0.441634  0.660957  1
  Cu  Cu202  1  0.435479  0.890378  0.702283  1
  Cu  Cu203  1  0.421941  0.612343  0.678806  1
  Cu  Cu204  1  0.638090  0.048992  0.722989  1
  Cu  Cu205  1  0.503534  0.526513  0.645406  1
  Cu  Cu206  1  0.723606  0.966664  0.691641  1
  Cu  Cu207  1  0.975136  0.469761  0.691124  1
  Cu  Cu208  1  0.754131  0.027711  0.645209  1
  Cu  Cu209  1  0.170930  0.612352  0.678795  1
  Cu  Cu210  1  0.391432  0.049053  0.722977  1
  Cu  Cu211  1  0.321819  0.163098  0.684022  1
  Cu  Cu212  1  0.101546  0.722541  0.638360  1
  Cu  Cu213  1  0.531073  0.331879  0.702201  1
  Cu  Cu214  1  0.309382  0.888224  0.655661  1
  Cu  Cu215  1  0.614731  0.248911  0.668624  1
  Cu  Cu216  1  0.841446  0.702437  0.714549  1
  Cu  Cu217  1  0.084161  0.187775  0.712417  1
  Cu  Cu218  1  0.865477  0.750406  0.667709  1
  Cu  Cu219  1  0.281337  0.331873  0.702195  1
  Cu  Cu220  1  0.059396  0.888224  0.655657  1
  Cu  Cu221  1  0.821819  0.163098  0.684022  1
  Cu  Cu222  1  0.601546  0.722541  0.638360  1
  Cu  Cu223  1  0.031073  0.331879  0.702201  1
  Cu  Cu224  1  0.809382  0.888224  0.655661  1
  Cu  Cu225  1  0.114731  0.248911  0.668624  1
  Cu  Cu226  1  0.341446  0.702437  0.714549  1
  Cu  Cu227  1  0.584161  0.187775  0.712417  1
  Cu  Cu228  1  0.365477  0.750406  0.667709  1
  Cu  Cu229  1  0.781337  0.331873  0.702195  1
  Cu  Cu230  1  0.559396  0.888224  0.655657  1
  Cu  Cu231  1  0.711082  0.441634  0.660957  1
  Cu  Cu232  1  0.935479  0.890378  0.702283  1
  Cu  Cu233  1  0.921941  0.612343  0.678806  1
  Cu  Cu234  1  0.138090  0.048992  0.722989  1
  Cu  Cu235  1  0.003534  0.526513  0.645406  1
  Cu  Cu236  1  0.223606  0.966664  0.691641  1
  Cu  Cu237  1  0.475136  0.469761  0.691124  1
  Cu  Cu238  1  0.254131  0.027711  0.645209  1
  Cu  Cu239  1  0.670930  0.612352  0.678795  1
  Cu  Cu240  1  0.891432  0.049053  0.722977  1
