# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42340503
_cell_length_b   4.62944660
_cell_length_c   46.85889609
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.50053689
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr11 Cu11'
_cell_volume   843.284534555
_cell_formula_units_Z   11
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  0.812164  0.867173  0.289414  1
  Zr  Zr2  1  0.161670  0.566427  0.327083  1
  Zr  Zr3  1  0.515151  0.273801  0.367043  1
  Zr  Zr4  1  0.868258  0.980554  0.407939  1
  Zr  Zr5  1  0.221219  0.686950  0.447815  1
  Zr  Zr6  1  0.574110  0.393209  0.487794  1
  Zr  Zr7  1  0.926854  0.099168  0.527576  1
  Zr  Zr8  1  0.280399  0.806759  0.567695  1
  Zr  Zr9  1  0.632938  0.512423  0.608963  1
  Zr  Zr10  1  0.981877  0.210814  0.647648  1
  Zr  Zr11  1  0.331462  0.910384  0.687241  1
  Cu  Cu12  1  0.484653  0.212223  0.307205  1
  Cu  Cu13  1  0.838823  0.920920  0.348231  1
  Cu  Cu14  1  0.191699  0.627160  0.387787  1
  Cu  Cu15  1  0.544539  0.333360  0.427467  1
  Cu  Cu16  1  0.897552  0.039863  0.467732  1
  Cu  Cu17  1  0.250691  0.746589  0.507797  1
  Cu  Cu18  1  0.603574  0.452866  0.548280  1
  Cu  Cu19  1  0.956479  0.159201  0.587343  1
  Cu  Cu20  1  0.307761  0.862327  0.627427  1
  Cu  Cu21  1  0.654123  0.555651  0.672876  1
  Cu  Cu22  1  0.013655  0.275013  0.704250  1
