# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01180798
_cell_length_b   10.74517912
_cell_length_c   51.55557075
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr21 Cu21'
_cell_volume   1668.46283787
_cell_formula_units_Z   21
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  0.521774  0.620408  0.278276  1
  Zr  Zr2  1  0.521774  0.921933  0.299708  1
  Zr  Zr3  1  0.521774  0.324535  0.260941  1
  Zr  Zr4  1  0.521774  0.522150  0.341180  1
  Zr  Zr5  1  0.521774  0.821361  0.361932  1
  Zr  Zr6  1  0.521774  0.220110  0.319149  1
  Zr  Zr7  1  0.521774  0.421254  0.403798  1
  Zr  Zr8  1  0.521774  0.721381  0.424576  1
  Zr  Zr9  1  0.521774  0.121353  0.382562  1
  Zr  Zr10  1  0.521774  0.321567  0.466513  1
  Zr  Zr11  1  0.521774  0.621516  0.487456  1
  Zr  Zr12  1  0.521774  0.021617  0.445569  1
  Zr  Zr13  1  0.521774  0.221880  0.529227  1
  Zr  Zr14  1  0.521774  0.521780  0.550464  1
  Zr  Zr15  1  0.521774  0.921753  0.508449  1
  Zr  Zr16  1  0.521774  0.120983  0.591845  1
  Zr  Zr17  1  0.521774  0.423024  0.613876  1
  Zr  Zr18  1  0.521774  0.821773  0.571094  1
  Zr  Zr19  1  0.521774  0.022726  0.654749  1
  Zr  Zr20  1  0.521774  0.318599  0.672085  1
  Zr  Zr21  1  0.521774  0.721200  0.633317  1
  Cu  Cu22  1  1.021774  0.822858  0.261025  1
  Cu  Cu23  1  1.021774  0.115794  0.277222  1
  Cu  Cu24  1  1.021774  0.424687  0.300428  1
  Cu  Cu25  1  1.021774  0.721895  0.319402  1
  Cu  Cu26  1  1.021774  0.021955  0.340988  1
  Cu  Cu27  1  1.021774  0.321130  0.361611  1
  Cu  Cu28  1  1.021774  0.620808  0.382852  1
  Cu  Cu29  1  1.021774  0.921930  0.403764  1
  Cu  Cu30  1  1.021774  0.221096  0.424503  1
  Cu  Cu31  1  1.021774  0.521653  0.445643  1
  Cu  Cu32  1  1.021774  0.821567  0.466513  1
  Cu  Cu33  1  1.021774  0.121481  0.487382  1
  Cu  Cu34  1  1.021774  0.422038  0.508522  1
  Cu  Cu35  1  1.021774  0.721203  0.529261  1
  Cu  Cu36  1  1.021774  0.022325  0.550174  1
  Cu  Cu37  1  1.021774  0.322004  0.571415  1
  Cu  Cu38  1  1.021774  0.621179  0.592037  1
  Cu  Cu39  1  1.021774  0.921238  0.613623  1
  Cu  Cu40  1  1.021774  0.218446  0.632597  1
  Cu  Cu41  1  1.021774  0.527340  0.655804  1
  Cu  Cu42  1  1.021774  0.820276  0.672001  1
