data_KFe2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.93
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFe2Sb
_chemical_formula_sum   'K1 Fe2 Sb1'
_cell_volume   84.4
_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  K2  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.52  0.96  0.61  1.0
  Fe  Fe1  1  0.52  0.96  0.47  1.0
  Sb  Sb3  1  0.0  0.0  0.54  1.0

data_KFe2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   3.93
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFe2Sb
_chemical_formula_sum   'K1 Fe2 Sb1'
_cell_volume   84.4
_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
  Fe  Fe1  1  0.52  0.96  0.47  1.0
  Fe  Fe2  1  0.52  0.96  0.61  1.0
  Sb  Sb3  1  0.0  0.0  0.54  1.0

K Fe Fe Sb
KFe2Sb crystallizes in the triclinic P1 space group. K(1) is bonded in a 10-coordinate geometry to four equivalent K(1), two equivalent Fe(1), two equivalent Fe(2), and two equivalent Sb(1) atoms. There are two shorter (3.04 Å) and two longer (3.93 Å) K(1)-K(1) bond lengths. There is one shorter (3.12 Å) and one longer (3.17 Å) K(1)-Fe(1) bond length. There is one shorter (3.62 Å) and one longer (3.66 Å) K(1)-Fe(2) bond length. There is one shorter (3.26 Å) and one longer (3.81 Å) K(1)-Sb(1) bond length. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to two equivalent K(1), one Fe(2), and two equivalent Sb(1) atoms. The Fe(1)-Fe(2) bond length is 1.02 Å. There is one shorter (1.56 Å) and one longer (1.66 Å) Fe(1)-Sb(1) bond length. In the second Fe site, Fe(2) is bonded in a 3-coordinate geometry to two equivalent K(1), one Fe(1), and two equivalent Sb(1) atoms. There is one shorter (1.56 Å) and one longer (1.66 Å) Fe(2)-Sb(1) bond length. Sb(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1), two equivalent Fe(1), and two equivalent Fe(2) atoms.