data_KCaSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   4.49
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCaSi2
_chemical_formula_sum   'K1 Ca1 Si2'
_cell_volume   110.93
_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
  Ca  Ca0  1  0.0  0.0  0.66  1.0
  Si  Si2  1  0.68  0.25  0.46  1.0
  Si  Si3  1  0.68  0.25  0.87  1.0

data_KCaSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.49
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCaSi2
_chemical_formula_sum   'K1 Ca1 Si2'
_cell_volume   110.93
_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
  Ca  Ca1  1  0.0  0.0  0.66  1.0
  Si  Si2  1  0.68  0.25  0.46  1.0
  Si  Si3  1  0.68  0.25  0.87  1.0

K Ca Si Si
KCaSi2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one KCaSi2 cluster. K(1) is bonded in a distorted single-bond geometry to one Si(2) atom. The K(1)-Si(2) bond length is 1.81 Å. Ca(1) is bonded in a distorted L-shaped geometry to one Si(1) and one Si(2) atom. The Ca(1)-Si(1) bond length is 2.13 Å. The Ca(1)-Si(2) bond length is 2.13 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted single-bond geometry to one Ca(1) atom. In the second Si site, Si(2) is bonded in a 2-coordinate geometry to one K(1) and one Ca(1) atom.