data_KIn2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   5.16
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   101.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KIn2Sn
_chemical_formula_sum   'K1 In2 Sn1'
_cell_volume   131.75
_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  0.96  0.0  0.72  1.0
  In  In0  1  0.54  0.0  0.39  1.0
  In  In1  1  0.45  0.58  0.4  1.0
  Sn  Sn3  1  0.38  0.58  0.99  1.0

data_KIn2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   5.16
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   101.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KIn2Sn
_chemical_formula_sum   'K1 In2 Sn1'
_cell_volume   131.75
_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  0.96  0.0  0.72  1.0
  In  In1  1  0.45  0.58  0.4  1.0
  In  In2  1  0.54  0.0  0.39  1.0
  Sn  Sn3  1  0.38  0.58  0.99  1.0

K In In Sn
K In In Sn 0 2 o - o 0 1 o o o 0 0 + o o 0 3 + - o 0 3 + o o 0 3 o - o 1 2 o - o 1 3 o - - 2 3 o o - 3 3 + o o 
KIn2Sn crystallizes in the triclinic P1 space group. K(1) is bonded in a 2-coordinate geometry to one In(1), three equivalent In(2), and two equivalent Sn(1) atoms. The K(1)-In(1) bond length is 2.60 Å. There are a spread of K(1)-In(2) bond distances ranging from 3.46-4.01 Å. There is one shorter (3.13 Å) and one longer (3.74 Å) K(1)-Sn(1) bond length. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 1-coordinate geometry to one K(1) and two equivalent In(2) atoms. There is one shorter (2.20 Å) and one longer (3.00 Å) In(1)-In(2) bond length. In the second In site, In(2) is bonded in a 8-coordinate geometry to three equivalent K(1), two equivalent In(1), two equivalent In(2), and one Sn(1) atom. Both In(2)-In(2) bond lengths are 3.45 Å. The In(2)-Sn(1) bond length is 3.05 Å. Sn(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one In(2) atom.