# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42062093
_cell_length_b   10.75113833
_cell_length_c   47.88977624
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.10242841
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr30 Cu30'
_cell_volume   2227.14877636
_cell_formula_units_Z   30
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  0.198456  0.693560  0.313319  1
  Zr  Zr2  1  0.515306  0.060246  0.283575  1
  Zr  Zr3  1  0.357307  0.375894  0.298374  1
  Zr  Zr4  1  0.719717  0.650724  0.357907  1
  Zr  Zr5  1  0.039662  0.011135  0.329082  1
  Zr  Zr6  1  0.879642  0.331010  0.343100  1
  Zr  Zr7  1  0.242945  0.603642  0.404648  1
  Zr  Zr8  1  0.561862  0.966320  0.372751  1
  Zr  Zr9  1  0.402088  0.285599  0.388836  1
  Zr  Zr10  1  0.764192  0.560744  0.449606  1
  Zr  Zr11  1  0.083095  0.923197  0.419981  1
  Zr  Zr12  1  0.923387  0.242472  0.434838  1
  Zr  Zr13  1  0.286298  0.516163  0.495362  1
  Zr  Zr14  1  0.604913  0.879187  0.464679  1
  Zr  Zr15  1  0.445693  0.197502  0.479922  1
  Zr  Zr16  1  0.807978  0.472461  0.540756  1
  Zr  Zr17  1  0.126843  0.834950  0.510681  1
  Zr  Zr18  1  0.967333  0.153855  0.525755  1
  Zr  Zr19  1  0.329715  0.428599  0.586404  1
  Zr  Zr20  1  0.648589  0.791136  0.555785  1
  Zr  Zr21  1  0.489142  0.109905  0.570874  1
  Zr  Zr22  1  0.851440  0.384675  0.632014  1
  Zr  Zr23  1  0.170543  0.746803  0.601740  1
  Zr  Zr24  1  0.011673  0.064393  0.616588  1
  Zr  Zr25  1  0.373378  0.340441  0.677481  1
  Zr  Zr26  1  0.692014  0.703436  0.647042  1
  Zr  Zr27  1  0.532720  0.021905  0.662292  1
  Zr  Zr28  1  0.895490  0.295825  0.720374  1
  Zr  Zr29  1  0.215167  0.656920  0.693429  1
  Zr  Zr30  1  0.053651  0.979814  0.707381  1
  Cu  Cu31  1  0.095617  0.899904  0.279209  1
  Cu  Cu32  1  0.939291  0.212106  0.291609  1
  Cu  Cu33  1  0.777978  0.534550  0.306148  1
  Cu  Cu34  1  0.619901  0.850793  0.315557  1
  Cu  Cu35  1  0.458809  0.172804  0.335514  1
  Cu  Cu36  1  0.299691  0.490872  0.351103  1
  Cu  Cu37  1  0.141700  0.806669  0.367295  1
  Cu  Cu38  1  0.981568  0.126746  0.382272  1
  Cu  Cu39  1  0.822069  0.445520  0.396345  1
  Cu  Cu40  1  0.662539  0.764399  0.411273  1
  Cu  Cu41  1  0.503435  0.082451  0.426330  1
  Cu  Cu42  1  0.344221  0.400716  0.442208  1
  Cu  Cu43  1  0.184799  0.719431  0.457805  1
  Cu  Cu44  1  0.025273  0.038376  0.472953  1
  Cu  Cu45  1  0.865756  0.357314  0.487773  1
  Cu  Cu46  1  0.706393  0.675928  0.502621  1
  Cu  Cu47  1  0.547042  0.994510  0.517722  1
  Cu  Cu48  1  0.387650  0.313174  0.533133  1
  Cu  Cu49  1  0.228423  0.631514  0.548615  1
  Cu  Cu50  1  0.069116  0.950015  0.563757  1
  Cu  Cu51  1  0.909511  0.269095  0.578846  1
  Cu  Cu52  1  0.750034  0.587913  0.593654  1
  Cu  Cu53  1  0.590512  0.906825  0.608697  1
  Cu  Cu54  1  0.431480  0.224683  0.623839  1
  Cu  Cu55  1  0.271742  0.543983  0.639922  1
  Cu  Cu56  1  0.113707  0.859923  0.655692  1
  Cu  Cu57  1  0.953622  0.180027  0.669198  1
  Cu  Cu58  1  0.791806  0.503639  0.684358  1
  Cu  Cu59  1  0.634055  0.819072  0.698821  1
  Cu  Cu60  1  0.474680  0.137555  0.714170  1
