# generated using pymatgen
data_ZrCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84603249
_cell_length_b   6.84603249
_cell_length_c   48.47199942
_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   'Zr12 Cu60'
_cell_volume   2271.79346362
_cell_formula_units_Z   12
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  0.003490  0.503490  0.296965  1
  Zr  Zr2  1  0.503490  0.003490  0.296965  1
  Zr  Zr3  1  0.003490  0.003490  0.358761  1
  Zr  Zr4  1  0.503490  0.503490  0.358761  1
  Zr  Zr5  1  0.003490  0.503490  0.432055  1
  Zr  Zr6  1  0.503490  0.003490  0.432055  1
  Zr  Zr7  1  0.003490  0.003490  0.503664  1
  Zr  Zr8  1  0.503490  0.503490  0.503664  1
  Zr  Zr9  1  0.003490  0.503490  0.574953  1
  Zr  Zr10  1  0.503490  0.003490  0.574953  1
  Zr  Zr11  1  0.003490  0.003490  0.647349  1
  Zr  Zr12  1  0.503490  0.503490  0.647349  1
  Cu  Cu13  1  0.753490  0.253490  0.327314  1
  Cu  Cu14  1  0.622581  0.622581  0.304813  1
  Cu  Cu15  1  0.880343  0.380343  0.377809  1
  Cu  Cu16  1  0.626419  0.380560  0.413751  1
  Cu  Cu17  1  0.875231  0.631748  0.342960  1
  Cu  Cu18  1  0.253490  0.753490  0.327314  1
  Cu  Cu19  1  0.122581  0.122581  0.304813  1
  Cu  Cu20  1  0.380343  0.880343  0.377809  1
  Cu  Cu21  1  0.126419  0.880560  0.413751  1
  Cu  Cu22  1  0.375231  0.131748  0.342960  1
  Cu  Cu23  1  0.753490  0.753490  0.396302  1
  Cu  Cu24  1  0.626636  0.126636  0.377809  1
  Cu  Cu25  1  0.884398  0.884398  0.304813  1
  Cu  Cu26  1  0.631748  0.875231  0.342960  1
  Cu  Cu27  1  0.880560  0.126419  0.413751  1
  Cu  Cu28  1  0.253490  0.253490  0.396302  1
  Cu  Cu29  1  0.126636  0.626636  0.377809  1
  Cu  Cu30  1  0.384398  0.384398  0.304813  1
  Cu  Cu31  1  0.131748  0.375231  0.342960  1
  Cu  Cu32  1  0.380560  0.626419  0.413751  1
  Cu  Cu33  1  0.753490  0.253490  0.467668  1
  Cu  Cu34  1  0.626613  0.626613  0.449733  1
  Cu  Cu35  1  0.880056  0.380056  0.521455  1
  Cu  Cu36  1  0.626571  0.380408  0.557574  1
  Cu  Cu37  1  0.880172  0.626807  0.485744  1
  Cu  Cu38  1  0.253490  0.753490  0.467668  1
  Cu  Cu39  1  0.126613  0.126613  0.449733  1
  Cu  Cu40  1  0.380056  0.880056  0.521455  1
  Cu  Cu41  1  0.126571  0.880408  0.557574  1
  Cu  Cu42  1  0.380172  0.126807  0.485744  1
  Cu  Cu43  1  0.753490  0.753490  0.539476  1
  Cu  Cu44  1  0.626923  0.126923  0.521455  1
  Cu  Cu45  1  0.880367  0.880367  0.449733  1
  Cu  Cu46  1  0.626807  0.880172  0.485744  1
  Cu  Cu47  1  0.880408  0.126571  0.557574  1
  Cu  Cu48  1  0.253490  0.253490  0.539476  1
  Cu  Cu49  1  0.126923  0.626923  0.521455  1
  Cu  Cu50  1  0.380367  0.380367  0.449733  1
  Cu  Cu51  1  0.126807  0.380172  0.485744  1
  Cu  Cu52  1  0.380408  0.626571  0.557574  1
  Cu  Cu53  1  0.753490  0.253490  0.611290  1
  Cu  Cu54  1  0.626919  0.626919  0.593444  1
  Cu  Cu55  1  0.880319  0.380319  0.665898  1
  Cu  Cu56  1  0.622589  0.384390  0.700433  1
  Cu  Cu57  1  0.881495  0.625484  0.629305  1
  Cu  Cu58  1  0.253490  0.753490  0.611290  1
  Cu  Cu59  1  0.126919  0.126919  0.593444  1
  Cu  Cu60  1  0.380319  0.880319  0.665898  1
  Cu  Cu61  1  0.122589  0.884390  0.700433  1
  Cu  Cu62  1  0.381495  0.125484  0.629305  1
  Cu  Cu63  1  0.753490  0.753490  0.678409  1
  Cu  Cu64  1  0.626660  0.126660  0.665898  1
  Cu  Cu65  1  0.880060  0.880060  0.593444  1
  Cu  Cu66  1  0.625484  0.881495  0.629305  1
  Cu  Cu67  1  0.884390  0.122589  0.700433  1
  Cu  Cu68  1  0.253490  0.253490  0.678409  1
  Cu  Cu69  1  0.126660  0.626660  0.665898  1
  Cu  Cu70  1  0.380060  0.380060  0.593444  1
  Cu  Cu71  1  0.125484  0.381495  0.629305  1
  Cu  Cu72  1  0.384390  0.622589  0.700433  1
