# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57714724
_cell_length_b   9.98820122
_cell_length_c   49.37762944
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr30 Cu30'
_cell_volume   2200.26101878
_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  0.920901  0.700552  0.275153  1
  Zr  Zr2  1  0.082712  0.020224  0.286968  1
  Zr  Zr3  1  0.241294  0.339818  0.300427  1
  Zr  Zr4  1  0.393074  0.651858  0.316647  1
  Zr  Zr5  1  0.542557  0.966630  0.331786  1
  Zr  Zr6  1  0.689437  0.277842  0.346827  1
  Zr  Zr7  1  0.838497  0.593715  0.361181  1
  Zr  Zr8  1  0.986426  0.911080  0.377294  1
  Zr  Zr9  1  0.133601  0.224875  0.392253  1
  Zr  Zr10  1  0.280569  0.539175  0.407071  1
  Zr  Zr11  1  0.427020  0.853344  0.422995  1
  Zr  Zr12  1  0.575475  0.169078  0.438099  1
  Zr  Zr13  1  0.723046  0.483517  0.453006  1
  Zr  Zr14  1  0.869496  0.797911  0.468364  1
  Zr  Zr15  1  0.016910  0.113160  0.483592  1
  Zr  Zr16  1  0.164452  0.427268  0.498732  1
  Zr  Zr17  1  0.312024  0.742930  0.514119  1
  Zr  Zr18  1  0.458487  0.056654  0.529511  1
  Zr  Zr19  1  0.606085  0.370719  0.544392  1
  Zr  Zr20  1  0.754756  0.686245  0.559071  1
  Zr  Zr21  1  0.901003  1.001188  0.575207  1
  Zr  Zr22  1  0.050130  0.316948  0.589910  1
  Zr  Zr23  1  0.197320  0.629379  0.605204  1
  Zr  Zr24  1  0.345846  0.947465  0.622078  1
  Zr  Zr25  1  0.497506  0.260737  0.636244  1
  Zr  Zr26  1  0.650123  0.572126  0.650947  1
  Zr  Zr27  1  0.808995  0.889709  0.663834  1
  Zr  Zr28  1  0.962946  0.202475  0.681574  1
  Zr  Zr29  1  0.115156  0.519608  0.695678  1
  Zr  Zr30  1  0.270320  0.837314  0.709015  1
  Cu  Cu31  1  0.508184  0.868480  0.280369  1
  Cu  Cu32  1  0.664408  0.177768  0.294757  1
  Cu  Cu33  1  0.815524  0.483293  0.309304  1
  Cu  Cu34  1  0.973169  0.812844  0.324492  1
  Cu  Cu35  1  0.119442  0.125895  0.338208  1
  Cu  Cu36  1  0.264721  0.434770  0.353312  1
  Cu  Cu37  1  0.413183  0.753376  0.369633  1
  Cu  Cu38  1  0.560026  0.066838  0.385428  1
  Cu  Cu39  1  0.707047  0.381996  0.399978  1
  Cu  Cu40  1  0.853312  0.695938  0.414791  1
  Cu  Cu41  1  1.001347  0.011967  0.430425  1
  Cu  Cu42  1  0.149473  0.326672  0.445421  1
  Cu  Cu43  1  0.296241  0.639767  0.460758  1
  Cu  Cu44  1  0.443264  0.955987  0.476145  1
  Cu  Cu45  1  0.590624  0.270055  0.491257  1
  Cu  Cu46  1  0.738040  0.584001  0.506179  1
  Cu  Cu47  1  0.885286  0.901182  0.521561  1
  Cu  Cu48  1  0.031972  0.213705  0.536792  1
  Cu  Cu49  1  0.180244  0.528523  0.551773  1
  Cu  Cu50  1  0.328183  0.844625  0.568254  1
  Cu  Cu51  1  0.474799  0.157745  0.582993  1
  Cu  Cu52  1  0.622607  0.473542  0.597335  1
  Cu  Cu53  1  0.767531  0.784650  0.611638  1
  Cu  Cu54  1  0.920208  0.109310  0.627818  1
  Cu  Cu55  1  0.070707  0.415351  0.643911  1
  Cu  Cu56  1  0.226030  0.725881  0.658742  1
  Cu  Cu57  1  0.392489  0.056695  0.678147  1
  Cu  Cu58  1  0.536422  0.359443  0.688516  1
  Cu  Cu59  1  0.694234  0.685401  0.702036  1
  Cu  Cu60  1  0.837402  0.978983  0.713645  1
