data_KBaSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   9.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaSi2
_chemical_formula_sum   'K1 Ba1 Si2'
_cell_volume   127.02
_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  0.29  1.0
  Ba  Ba0  1  0.79  0.79  0.03  1.0
  Si  Si2  1  0.79  0.79  0.84  1.0
  Si  Si3  1  0.0  0.0  0.71  1.0

data_KBaSi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   9.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KBaSi2
_chemical_formula_sum   'K2 Ba2 Si4'
_cell_volume   254.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.29  1.0
  Ba  Ba1  2  0.29  0.5  0.03  1.0
  Si  Si2  2  0.0  0.0  0.71  1.0
  Si  Si3  2  0.29  0.5  0.84  1.0

K Ba Si Si
KBaSi2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two KBaSi2 clusters. K(1) is bonded in a distorted single-bond geometry to one Ba(1) atom. The K(1)-Ba(1) bond length is 2.80 Å. Ba(1) is bonded in a single-bond geometry to one K(1) and one Si(1) atom. The Ba(1)-Si(1) bond length is 1.88 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Si(2) atom. The Si(1)-Si(2) bond length is 1.64 Å. In the second Si site, Si(2) is bonded in a single-bond geometry to one Si(1) atom.