[CIF]
data_KZr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52468626
_cell_length_b   6.52468626
_cell_length_c   20.45994676
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZr2
_chemical_formula_sum   'K8 Zr16'
_cell_volume   754.31787221
_cell_formula_units_Z   8
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
  K  K0  1  0.00000000  0.00000000  12.20083688  1
  K  K1  1  0.00000000  0.00000000  8.25910988  1
  K  K2  1  0.00000000  0.00000000  1.97086350  1
  K  K3  1  0.00000000  0.00000000  18.48908326  1
  K  K4  1  0.00000000  3.76702937  6.98803957  1
  K  K5  1  3.26234313  1.88351468  13.47190719  1
  K  K6  1  3.26234313  1.88351468  17.21801295  1
  K  K7  1  -0.00000000  3.76702937  3.24193381  1
  Zr  Zr8  1  0.00000000  3.76702937  12.79813290  1
  Zr  Zr9  1  3.26234313  1.88351468  7.66181386  1
  Zr  Zr10  1  3.26234313  1.88351468  2.56815952  1
  Zr  Zr11  1  -0.00000000  3.76702937  17.89178724  1
  Zr  Zr12  1  1.63117156  2.82527203  10.22997338  1
  Zr  Zr13  1  3.26234313  0.00000000  10.22997338  1
  Zr  Zr14  1  -1.63117156  2.82527203  10.22997338  1
  Zr  Zr15  1  1.63117156  2.82527203  0.00000000  1
  Zr  Zr16  1  3.26234313  0.00000000  0.00000000  1
  Zr  Zr17  1  -1.63117156  2.82527203  0.00000000  1
  Zr  Zr18  1  -1.43443262  4.59519943  15.34496007  1
  Zr  Zr19  1  -0.00000000  2.11068925  15.34496007  1
  Zr  Zr20  1  1.43443262  4.59519943  15.34496007  1
  Zr  Zr21  1  4.69677575  1.05534463  5.11498669  1
  Zr  Zr22  1  3.26234313  3.53985480  5.11498669  1
  Zr  Zr23  1  1.82791051  1.05534463  5.11498669  1
[/CIF]
