data_K2TaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   9.89
_cell_angle_alpha   93.76
_cell_angle_beta   93.76
_cell_angle_gamma   37.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TaSb
_chemical_formula_sum   'K2 Ta1 Sb1'
_cell_volume   154.28
_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  0.05  0.0  0.73  1.0
  K  K1  1  0.75  0.0  0.63  1.0
  Ta  Ta3  1  0.06  0.0  0.33  1.0
  Sb  Sb2  1  0.45  0.0  0.11  1.0

data_K2TaSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.05
_cell_length_c   9.89
_cell_angle_alpha   93.76
_cell_angle_beta   90.0
_cell_angle_gamma   108.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TaSb
_chemical_formula_sum   'K2 Ta1 Sb1'
_cell_volume   154.28
_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  0.25  0.37  1.0
  K  K1  1  0.0  0.95  0.27  1.0
  Ta  Ta2  1  0.0  0.94  0.67  1.0
  Sb  Sb3  1  0.0  0.55  0.89  1.0

K K Ta Sb
K K Ta Sb 0 1 - o o 1 2 + o o 2 3 - o o 2 3 o o o 2 2 + - o 3 3 + - o 
K2TaSb crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted single-bond geometry to one K(2) and one Sb(1) atom. The K(1)-K(2) bond length is 1.74 Å. The K(1)-Sb(1) bond length is 4.11 Å. In the second K site, K(2) is bonded in a distorted L-shaped geometry to one K(1) and one Ta(1) atom. The K(2)-Ta(1) bond length is 3.41 Å. Ta(1) is bonded in a 2-coordinate geometry to one K(2) and two equivalent Sb(1) atoms. There is one shorter (3.09 Å) and one longer (3.69 Å) Ta(1)-Sb(1) bond length. Sb(1) is bonded in a 5-coordinate geometry to one K(1), two equivalent Ta(1), and two equivalent Sb(1) atoms. Both Sb(1)-Sb(1) bond lengths are 3.27 Å.