data_KAgSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAgSb3
_chemical_formula_sum   'K1 Ag1 Sb3'
_cell_volume   201.04
_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  K3  1  0.0  0.0  0.0  1.0
  Ag  Ag4  1  0.93  0.93  0.93  1.0
  Sb  Sb0  1  0.0  0.93  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.93  1.0
  Sb  Sb2  1  0.93  0.0  0.0  1.0

data_KAgSb3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.28
_cell_length_b   8.28
_cell_length_c   10.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KAgSb3
_chemical_formula_sum   'K3 Ag3 Sb9'
_cell_volume   603.13
_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
  Ag  Ag1  3  0.0  0.0  0.93  1.0
  Sb  Sb2  9  0.02  0.05  0.98  1.0

K Ag Sb Sb Sb
K Ag Sb Sb Sb 0 4 - o o 0 2 o - o 0 3 o o - 1 3 + + o 1 4 o + + 1 2 + o + 
KAgSb3 is alpha Po structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three KAgSb3 clusters. K(1) is bonded in a distorted T-shaped geometry to three equivalent Sb(1) atoms. All K(1)-Sb(1) bond lengths are 0.42 Å. Ag(1) is bonded in a 3-coordinate geometry to three equivalent Sb(1) atoms. All Ag(1)-Sb(1) bond lengths are 0.59 Å. Sb(1) is bonded in a single-bond geometry to one K(1) and one Ag(1) atom.