data_KTiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.84
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTiSb2
_chemical_formula_sum   'K1 Ti1 Sb2'
_cell_volume   105.95
_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
  Ti  Ti3  1  0.0  0.0  0.38  1.0
  Sb  Sb1  1  0.58  0.92  0.69  1.0
  Sb  Sb2  1  0.58  0.92  0.07  1.0

data_KTiSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   3.84
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTiSb2
_chemical_formula_sum   'K1 Ti1 Sb2'
_cell_volume   105.95
_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
  Ti  Ti1  1  0.0  0.0  0.38  1.0
  Sb  Sb2  1  0.58  0.92  0.07  1.0
  Sb  Sb3  1  0.58  0.92  0.69  1.0

K Ti Sb Sb
KTiSb2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 2-coordinate geometry to one Ti(1), two equivalent Sb(1), and two equivalent Sb(2) atoms. The K(1)-Ti(1) bond length is 3.36 Å. There is one shorter (3.01 Å) and one longer (3.25 Å) K(1)-Sb(1) bond length. There is one shorter (1.51 Å) and one longer (1.94 Å) K(1)-Sb(2) bond length. Ti(1) is bonded in a 9-coordinate geometry to one K(1), four equivalent Ti(1), two equivalent Sb(1), and two equivalent Sb(2) atoms. There are two shorter (3.15 Å) and two longer (3.84 Å) Ti(1)-Ti(1) bond lengths. There is one shorter (3.06 Å) and one longer (3.29 Å) Ti(1)-Sb(1) bond length. There is one shorter (3.06 Å) and one longer (3.29 Å) Ti(1)-Sb(2) bond length. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Ti(1) atoms. In the second Sb site, Sb(2) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1) and two equivalent Ti(1) atoms.