data_KNaTaNb
_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   KNaTaNb
_chemical_formula_sum   'K1 Na1 Ta1 Nb1'
_cell_volume   92.83
_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  0.8  0.8  0.8  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.59  0.59  0.59  1.0
  Nb  Nb2  1  0.39  0.39  0.39  1.0

data_KNaTaNb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   12.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KNaTaNb
_chemical_formula_sum   'K3 Na3 Ta3 Nb3'
_cell_volume   278.48
_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  0.2  1.0
  Na  Na1  3  0.0  0.0  0.0  1.0
  Ta  Ta2  3  0.0  0.0  0.41  1.0
  Nb  Nb3  3  0.0  0.0  0.61  1.0

K Na Ta Nb
KNaTaNb crystallizes in the trigonal R3m space group. K(1) is bonded in a 5-coordinate geometry to one Na(1), four equivalent Ta(1), and three equivalent Nb(1) atoms. The K(1)-Na(1) bond length is 2.53 Å. There is one shorter (2.53 Å) and three longer (3.35 Å) K(1)-Ta(1) bond lengths. All K(1)-Nb(1) bond lengths are 3.07 Å. Na(1) is bonded in a 7-coordinate geometry to one K(1), three equivalent Ta(1), and three equivalent Nb(1) atoms. All Na(1)-Ta(1) bond lengths are 3.07 Å. All Na(1)-Nb(1) bond lengths are 3.02 Å. Ta(1) is bonded in a 11-coordinate geometry to four equivalent K(1), three equivalent Na(1), and four equivalent Nb(1) atoms. There is one shorter (2.53 Å) and three longer (3.35 Å) Ta(1)-Nb(1) bond lengths. Nb(1) is bonded in a 7-coordinate geometry to three equivalent K(1), three equivalent Na(1), and four equivalent Ta(1) atoms.