data_K2InFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   11.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2InFe
_chemical_formula_sum   'K2 In1 Fe1'
_cell_volume   116.17
_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  0.16  0.0  0.81  1.0
  K  K3  1  0.16  0.0  0.54  1.0
  In  In1  1  0.0  0.0  0.68  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_K2InFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   11.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2InFe
_chemical_formula_sum   'K2 In1 Fe1'
_cell_volume   116.17
_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  0.16  0.0  0.54  1.0
  K  K1  1  0.16  0.0  0.81  1.0
  In  In2  1  0.0  0.0  0.68  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0

K K In Fe
K K In Fe 0 2 o o o 0 3 o o + 1 2 o o o 
K2FeIn is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one K2FeIn cluster. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one In(1) atom. The K(1)-Fe(1) bond length is 2.23 Å. The K(1)-In(1) bond length is 1.60 Å. In the second K site, K(2) is bonded in a single-bond geometry to one In(1) atom. The K(2)-In(1) bond length is 1.60 Å. Fe(1) is bonded in a single-bond geometry to one K(1) atom. In(1) is bonded in a bent 150 degrees geometry to one K(1) and one K(2) atom.