data_K2ZnIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.29
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZnIn
_chemical_formula_sum   'K2 Zn1 In1'
_cell_volume   145.25
_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  K1  1  0.0  0.0  0.0  1.0
  K  K2  1  0.59  0.0  0.65  1.0
  Zn  Zn3  1  0.59  0.65  0.0  1.0
  In  In0  1  0.0  0.65  0.65  1.0

data_K2ZnIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.18
_cell_length_b   5.29
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZnIn
_chemical_formula_sum   'K2 Zn1 In1'
_cell_volume   145.25
_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
  K  K1  1  0.59  0.0  0.65  1.0
  Zn  Zn2  1  0.59  0.65  0.0  1.0
  In  In3  1  0.0  0.65  0.65  1.0

K K Zn In
K K Zn In 0 2 - - o 0 1 - o - 0 3 o - - 1 3 + - o 1 2 o - + 2 3 + o - 
K2ZnIn crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 2-coordinate geometry to one Zn(1) and three equivalent In(1) atoms. The K(1)-Zn(1) bond length is 2.83 Å. There are a spread of K(1)-In(1) bond distances ranging from 2.64-3.91 Å. In the second K site, K(2) is bonded in a 2-coordinate geometry to one Zn(1) and three equivalent In(1) atoms. The K(2)-Zn(1) bond length is 2.64 Å. There are a spread of K(2)-In(1) bond distances ranging from 2.83-4.02 Å. Zn(1) is bonded in a 2-coordinate geometry to one K(1), one K(2), and one In(1) atom. The Zn(1)-In(1) bond length is 2.82 Å. In(1) is bonded in a 7-coordinate geometry to three equivalent K(1), three equivalent K(2), and one Zn(1) atom.