data_K2HfZr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   6.98
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   91.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfZr
_chemical_formula_sum   'K2 Hf1 Zr1'
_cell_volume   124.18
_cell_formula_units_Z   1
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  K1  1  0.36  0.49  0.4  1.0
  K  K2  1  0.7  0.49  0.18  1.0
  Hf  Hf0  1  0.53  0.0  0.79  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0

data_K2HfZr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.58
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfZr
_chemical_formula_sum   'K2 Hf1 Zr1'
_cell_volume   124.18
_cell_formula_units_Z   1
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  0.3  0.82  0.51  1.0
  K  K1  1  0.64  0.6  0.51  1.0
  Hf  Hf2  1  0.47  0.21  0.0  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0

K K Hf Zr
K K Hf Zr 0 1 o o o 2 3 o o + 2 3 + o + 