data_KNa2Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   5.63
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa2Ta
_chemical_formula_sum   'K1 Na2 Ta1'
_cell_volume   118.48
_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  0.0  0.0  0.0  1.0
  Na  Na1  1  0.42  0.81  0.22  1.0
  Na  Na2  1  0.42  0.81  0.21  1.0
  Ta  Ta3  1  0.0  0.0  0.72  1.0

data_KNa2Ta
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   5.63
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa2Ta
_chemical_formula_sum   'K1 Na2 Ta1'
_cell_volume   118.48
_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  0.0  0.0  0.0  1.0
  Na  Na1  1  0.42  0.81  0.21  1.0
  Na  Na2  1  0.42  0.81  0.22  1.0
  Ta  Ta3  1  0.0  0.0  0.72  1.0

K Na Na Ta
K Na Na Ta 0 2 - - o 0 2 o - o 0 1 - - o 0 1 o - o 0 3 o o - 1 2 o o o 