data_KNaCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85
_cell_length_b   7.85
_cell_length_c   7.85
_cell_angle_alpha   149.27
_cell_angle_beta   149.27
_cell_angle_gamma   44.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaCl2
_chemical_formula_sum   'K1 Na1 Cl2'
_cell_volume   125.96
_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  K2  1  0.0  0.08  0.64  1.0
  Na  Na3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.08  0.0  0.64  1.0
  Cl  Cl1  1  0.0  0.0  0.28  1.0

data_KNaCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   7.85
_cell_angle_alpha   105.37
_cell_angle_beta   105.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaCl2
_chemical_formula_sum   'K1 Na1 Cl2'
_cell_volume   125.96
_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  0.44  0.08  0.44  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.36  0.0  0.44  1.0
  Cl  Cl3  1  0.72  0.0  0.72  1.0

K Na Cl Cl
K Na Cl Cl 0 2 o o o 0 3 o o o 1 3 o o o 2 3 o o o 