data_K2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   11.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Fe
_chemical_formula_sum   'K8 Fe4'
_cell_volume   391.58
_cell_formula_units_Z   4
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  K4  1  0.0  0.0  0.81  1.0
  K  K5  1  0.0  0.0  0.0  1.0
  K  K6  1  0.49  0.46  0.72  1.0
  K  K7  1  0.63  0.94  0.91  1.0
  K  K8  1  0.51  0.46  0.72  1.0
  K  K9  1  0.0  0.88  0.72  1.0
  K  K10  1  0.12  0.52  0.91  1.0
  K  K11  1  0.61  0.94  0.91  1.0
  Fe  Fe0  1  0.12  0.8  0.92  1.0
  Fe  Fe1  1  0.0  0.6  0.11  1.0
  Fe  Fe2  1  0.0  0.6  0.71  1.0
  Fe  Fe3  1  0.12  0.8  0.52  1.0

data_K2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   11.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Fe
_chemical_formula_sum   'K8 Fe4'
_cell_volume   391.58
_cell_formula_units_Z   4
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  0.88  0.72  1.0
  K  K1  1  0.0  0.0  0.0  1.0
  K  K2  1  0.0  0.0  0.81  1.0
  K  K3  1  0.12  0.52  0.91  1.0
  K  K4  1  0.49  0.46  0.72  1.0
  K  K5  1  0.51  0.46  0.72  1.0
  K  K6  1  0.61  0.94  0.91  1.0
  K  K7  1  0.63  0.94  0.91  1.0
  Fe  Fe8  1  -0.0  0.6  0.11  1.0
  Fe  Fe9  1  -0.0  0.6  0.71  1.0
  Fe  Fe10  1  0.12  0.8  0.52  1.0
  Fe  Fe11  1  0.12  0.8  0.92  1.0

K K K K K K K K Fe Fe Fe Fe
K K K K K K K K Fe Fe Fe Fe 0 5 o - o 0 1 o o + 0 8 o - o 1 3 - - - 1 8 o - - 1 9 o - o 2 4 o o o 3 7 o o o 5 10 o o o 5 11 o o o 6 8 o o o 6 9 o o + 8 9 o o + 10 11 o o o 
K2Fe is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one K2Fe cluster. There are eight inequivalent K sites. In the first K site, K(1) is bonded in a distorted L-shaped geometry to one K(6) and one Fe(1) atom. The K(1)-K(6) bond length is 1.33 Å. The K(1)-Fe(1) bond length is 2.12 Å. In the second K site, K(2) is bonded in a distorted single-bond geometry to one Fe(1) and one Fe(2) atom. The K(2)-Fe(1) bond length is 1.99 Å. The K(2)-Fe(2) bond length is 2.77 Å. In the third K site, K(3) is bonded in a single-bond geometry to one K(5) atom. The K(3)-K(5) bond length is 0.11 Å. In the fourth K site, K(4) is bonded in a single-bond geometry to one K(8) atom. The K(4)-K(8) bond length is 0.11 Å. In the fifth K site, K(5) is bonded in a 2-coordinate geometry to one K(3) and one Fe(3) atom. The K(5)-Fe(3) bond length is 2.74 Å. In the sixth K site, K(6) is bonded in a distorted single-bond geometry to one K(1), one Fe(3), and one Fe(4) atom. The K(6)-Fe(3) bond length is 1.74 Å. The K(6)-Fe(4) bond length is 2.56 Å. In the seventh K site, K(7) is bonded in a distorted single-bond geometry to one Fe(1) and one Fe(2) atom. The K(7)-Fe(1) bond length is 1.74 Å. The K(7)-Fe(2) bond length is 2.56 Å. In the eighth K site, K(8) is bonded in a 2-coordinate geometry to one K(4) and one Fe(1) atom. The K(8)-Fe(1) bond length is 2.74 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one K(1), one K(2), one K(7), and one K(8) atom. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to one K(2) and one K(7) atom. In the third Fe site, Fe(3) is bonded in a distorted single-bond geometry to one K(5) and one K(6) atom. In the fourth Fe site, Fe(4) is bonded in a distorted single-bond geometry to one K(6) atom.