data_KLaTa4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLaTa4
_chemical_formula_sum   'K1 La1 Ta4'
_cell_volume   147.99
_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
  La  La1  1  0.1  0.1  0.1  1.0
  Ta  Ta2  1  0.22  0.22  0.18  1.0
  Ta  Ta3  1  0.22  0.18  0.22  1.0
  Ta  Ta4  1  0.18  0.22  0.22  1.0
  Ta  Ta5  1  0.18  0.18  0.18  1.0

data_KLaTa4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   14.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KLaTa4
_chemical_formula_sum   'K3 La3 Ta12'
_cell_volume   443.98
_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  0.0  1.0
  La  La1  3  0.0  0.0  0.9  1.0
  Ta  Ta2  9  0.02  0.01  0.8  1.0
  Ta  Ta3  3  0.0  0.0  0.82  1.0

K La Ta Ta Ta Ta
K La Ta Ta Ta Ta 0 1 o o o 1 5 o o o 1 4 o o o 1 3 o o o 1 2 o o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
KLaTa(Ta)3 is alpha carbon monoxide-like structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three tantalum molecules and three KLaTa clusters. In each KLaTa cluster, K(1) is bonded in a single-bond geometry to one La(1) atom. The K(1)-La(1) bond length is 1.44 Å. La(1) is bonded in a linear geometry to one K(1) and one Ta(2) atom. The La(1)-Ta(2) bond length is 1.20 Å. Ta(2) is bonded in a distorted single-bond geometry to one La(1) atom.