# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75529082
_cell_length_b   21.09416485
_cell_length_c   47.90299873
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.48251251
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr72 Cu36'
_cell_volume   4774.37450572
_cell_formula_units_Z   36
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  0.409799  0.351448  0.297229  1
  Zr  Zr2  1  0.657203  0.846269  0.319764  1
  Zr  Zr3  1  0.860915  0.253664  0.292402  1
  Zr  Zr4  1  0.107752  0.747328  0.316870  1
  Zr  Zr5  1  0.785273  0.102462  0.285965  1
  Zr  Zr6  1  0.032908  0.597645  0.309623  1
  Zr  Zr7  1  0.239038  0.010101  0.282814  1
  Zr  Zr8  1  0.484559  0.500928  0.304723  1
  Zr  Zr9  1  0.904508  0.340881  0.345320  1
  Zr  Zr10  1  0.149993  0.831845  0.370505  1
  Zr  Zr11  1  0.353876  0.239579  0.340218  1
  Zr  Zr12  1  0.600873  0.733561  0.364688  1
  Zr  Zr13  1  0.281388  0.094681  0.334242  1
  Zr  Zr14  1  0.527902  0.587662  0.357844  1
  Zr  Zr15  1  0.730539  0.992920  0.331107  1
  Zr  Zr16  1  0.977279  0.486361  0.352737  1
  Zr  Zr17  1  0.397395  0.326660  0.395677  1
  Zr  Zr18  1  0.643485  0.818828  0.421121  1
  Zr  Zr19  1  0.848253  0.228342  0.390873  1
  Zr  Zr20  1  0.094523  0.720862  0.415482  1
  Zr  Zr21  1  0.774369  0.080634  0.384018  1
  Zr  Zr22  1  0.020762  0.573391  0.408141  1
  Zr  Zr23  1  0.223127  0.978054  0.377194  1
  Zr  Zr24  1  0.471384  0.474584  0.403100  1
  Zr  Zr25  1  0.890900  0.313679  0.446152  1
  Zr  Zr26  1  0.137419  0.806708  0.471343  1
  Zr  Zr27  1  0.341370  0.214578  0.441434  1
  Zr  Zr28  1  0.588077  0.707976  0.466123  1
  Zr  Zr29  1  0.267245  0.066378  0.433602  1
  Zr  Zr30  1  0.514357  0.560586  0.458610  1
  Zr  Zr31  1  0.717372  0.966553  0.427564  1
  Zr  Zr32  1  0.964786  0.461394  0.453484  1
  Zr  Zr33  1  0.384436  0.300759  0.496263  1
  Zr  Zr34  1  0.631106  0.794093  0.521614  1
  Zr  Zr35  1  0.834639  0.201118  0.491418  1
  Zr  Zr36  1  0.081720  0.695266  0.516490  1
  Zr  Zr37  1  0.760704  0.053296  0.483569  1
  Zr  Zr38  1  0.007986  0.547849  0.508721  1
  Zr  Zr39  1  0.211076  0.953975  0.478527  1
  Zr  Zr40  1  0.458190  0.448208  0.503607  1
  Zr  Zr41  1  0.877815  0.287523  0.546342  1
  Zr  Zr42  1  0.124748  0.781387  0.572595  1
  Zr  Zr43  1  0.328209  0.188264  0.541365  1
  Zr  Zr44  1  0.575390  0.682607  0.566874  1
  Zr  Zr45  1  0.254312  0.040519  0.533835  1
  Zr  Zr46  1  0.501355  0.534584  0.558612  1
  Zr  Zr47  1  0.704705  0.941244  0.528943  1
  Zr  Zr48  1  0.951662  0.435156  0.553719  1
  Zr  Zr49  1  0.371137  0.274174  0.596692  1
  Zr  Zr50  1  0.619054  0.770007  0.623951  1
  Zr  Zr51  1  0.821790  0.175435  0.591691  1
  Zr  Zr52  1  0.068527  0.668866  0.617072  1
  Zr  Zr53  1  0.747983  0.027871  0.584343  1
  Zr  Zr54  1  0.994372  0.520614  0.608817  1
  Zr  Zr55  1  0.198577  0.929003  0.578996  1
  Zr  Zr56  1  0.445048  0.421936  0.604089  1
  Zr  Zr57  1  0.865053  0.262019  0.647019  1
  Zr  Zr58  1  0.113231  0.758319  0.672095  1
  Zr  Zr59  1  0.314658  0.161181  0.641982  1
  Zr  Zr60  1  0.560464  0.652723  0.666603  1
  Zr  Zr61  1  0.241961  0.015835  0.634840  1
  Zr  Zr62  1  0.487898  0.507671  0.659415  1
  Zr  Zr63  1  0.692475  0.916818  0.629096  1
  Zr  Zr64  1  0.937767  0.407387  0.654359  1
  Zr  Zr65  1  0.357665  0.247238  0.695115  1
  Zr  Zr66  1  0.604690  0.741104  0.716280  1
  Zr  Zr67  1  0.809711  0.151313  0.690303  1
  Zr  Zr68  1  0.054641  0.641083  0.713825  1
  Zr  Zr69  1  0.734915  1.001722  0.682873  1
  Zr  Zr70  1  0.980290  0.492453  0.707642  1
  Zr  Zr71  1  0.187015  0.905917  0.679224  1
  Zr  Zr72  1  0.432295  0.396467  0.702708  1
  Cu  Cu73  1  0.709078  0.950283  0.279213  1
  Cu  Cu74  1  0.947511  0.426851  0.298740  1
  Cu  Cu75  1  0.322950  0.177761  0.286799  1
  Cu  Cu76  1  0.570307  0.672431  0.310907  1
  Cu  Cu77  1  0.191305  0.914384  0.322211  1
  Cu  Cu78  1  0.440907  0.413645  0.349374  1
  Cu  Cu79  1  0.817594  0.167050  0.337410  1
  Cu  Cu80  1  0.064319  0.660476  0.361745  1
  Cu  Cu81  1  0.685355  0.902533  0.374533  1
  Cu  Cu82  1  0.934273  0.400388  0.399775  1
  Cu  Cu83  1  0.311755  0.155384  0.387908  1
  Cu  Cu84  1  0.557731  0.647304  0.412228  1
  Cu  Cu85  1  0.180389  0.892608  0.424482  1
  Cu  Cu86  1  0.427845  0.387540  0.449585  1
  Cu  Cu87  1  0.804608  0.141083  0.437388  1
  Cu  Cu88  1  0.051410  0.634666  0.462113  1
  Cu  Cu89  1  0.674464  0.880776  0.474793  1
  Cu  Cu90  1  0.921313  0.374482  0.499920  1
  Cu  Cu91  1  0.297686  0.127236  0.487587  1
  Cu  Cu92  1  0.545006  0.621865  0.512545  1
  Cu  Cu93  1  0.167676  0.867210  0.525385  1
  Cu  Cu94  1  0.414720  0.361302  0.550226  1
  Cu  Cu95  1  0.791121  0.114113  0.537829  1
  Cu  Cu96  1  0.038404  0.608659  0.562913  1
  Cu  Cu97  1  0.661267  0.854401  0.575715  1
  Cu  Cu98  1  0.908161  0.348193  0.600004  1
  Cu  Cu99  1  0.284857  0.101593  0.587612  1
  Cu  Cu100  1  0.531094  0.594022  0.612474  1
  Cu  Cu101  1  0.155985  0.843858  0.626129  1
  Cu  Cu102  1  0.401470  0.334827  0.650455  1
  Cu  Cu103  1  0.778397  0.088683  0.638081  1
  Cu  Cu104  1  0.023614  0.579060  0.662443  1
  Cu  Cu105  1  0.653239  0.838383  0.676930  1
  Cu  Cu106  1  0.894660  0.321216  0.701059  1
  Cu  Cu107  1  0.272138  0.076171  0.688850  1
  Cu  Cu108  1  0.517300  0.566445  0.713282  1
