data_KNaTa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaTa2
_chemical_formula_sum   'K1 Na1 Ta2'
_cell_volume   92.45
_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  0.79  0.79  0.79  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.38  0.38  0.38  1.0
  Ta  Ta3  1  0.59  0.59  0.59  1.0

data_KNaTa2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   12.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KNaTa2
_chemical_formula_sum   'K3 Na3 Ta6'
_cell_volume   277.34
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.21  1.0
  Na  Na1  3  0.0  0.0  0.0  1.0
  Ta  Ta2  3  0.0  0.0  0.41  1.0
  Ta  Ta3  3  0.0  0.0  0.62  1.0

K Na Ta Ta
K Na Ta Ta 0 1 + o + 0 1 o + + 0 1 + + o 0 1 + + + 0 3 o o o 0 3 o o + 0 3 + o o 0 3 o + o 0 2 o o + 0 2 o + o 0 2 + o o 1 3 - - o 1 3 - o - 1 3 o - - 1 2 - o o 1 2 o - o 1 2 o o - 2 3 o - o 2 3 - o o 2 3 o o - 2 3 o o o 
KNaTa2 crystallizes in the trigonal R3m space group. K(1) is bonded in a 11-coordinate geometry to four equivalent Na(1), three equivalent Ta(1), and four equivalent Ta(2) atoms. There is one shorter (2.56 Å) and three longer (3.33 Å) K(1)-Na(1) bond lengths. All K(1)-Ta(1) bond lengths are 3.09 Å. There is one shorter (2.56 Å) and three longer (3.33 Å) K(1)-Ta(2) bond lengths. Na(1) is bonded in a 7-coordinate geometry to four equivalent K(1), three equivalent Ta(1), and three equivalent Ta(2) atoms. All Na(1)-Ta(1) bond lengths are 3.00 Å. All Na(1)-Ta(2) bond lengths are 3.09 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 7-coordinate geometry to three equivalent K(1), three equivalent Na(1), and one Ta(2) atom. The Ta(1)-Ta(2) bond length is 2.56 Å. In the second Ta site, Ta(2) is bonded in a distorted single-bond geometry to four equivalent K(1), three equivalent Na(1), and one Ta(1) atom.