data_KGaSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaSn2
_chemical_formula_sum   'K1 Ga1 Sn2'
_cell_volume   112.65
_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
  Ga  Ga0  1  0.26  0.0  0.0  1.0
  Sn  Sn2  1  0.63  0.69  0.6  1.0
  Sn  Sn3  1  0.63  0.31  0.6  1.0

data_KGaSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   117.48
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaSn2
_chemical_formula_sum   'K1 Ga1 Sn2'
_cell_volume   112.65
_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
  Ga  Ga1  1  0.0  0.26  0.0  1.0
  Sn  Sn2  1  0.6  0.63  0.31  1.0
  Sn  Sn3  1  0.6  0.63  0.69  1.0

K Ga Sn Sn
KGaSn2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 1-coordinate geometry to one Ga(1), one Sn(2), and two equivalent Sn(1) atoms. The K(1)-Ga(1) bond length is 1.67 Å. The K(1)-Sn(2) bond length is 3.87 Å. There is one shorter (2.57 Å) and one longer (2.96 Å) K(1)-Sn(1) bond length. Ga(1) is bonded in a distorted single-bond geometry to one K(1) and two equivalent Sn(2) atoms. There is one shorter (2.57 Å) and one longer (2.96 Å) Ga(1)-Sn(2) bond length. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Sn(2) atom. The Sn(1)-Sn(2) bond length is 2.38 Å. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to one K(1), two equivalent Ga(1), and one Sn(1) atom.