data_LiCa2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa2In
_chemical_formula_sum   'Li1 Ca2 In1'
_cell_volume   120.13
_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
  Li  Li3  1  0.0  0.0  0.71  1.0
  Ca  Ca0  1  0.92  0.92  0.76  1.0
  Ca  Ca1  1  0.0  0.0  0.44  1.0
  In  In2  1  0.92  0.92  0.4  1.0

data_LiCa2In
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiCa2In
_chemical_formula_sum   'Li2 Ca4 In2'
_cell_volume   240.27
_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
  Li  Li0  2  0.0  0.0  0.71  1.0
  Ca  Ca1  2  0.0  0.0  0.44  1.0
  Ca  Ca2  2  0.42  0.5  0.76  1.0
  In  In3  2  0.42  0.5  0.4  1.0

Li Ca Ca In
CaLiCaIn is High Pressure Cadmuum Telluride structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaIn clusters and two CaLi clusters. In each CaIn cluster, Ca(2) is bonded in a single-bond geometry to one In(1) atom. The Ca(2)-In(1) bond length is 0.54 Å. In(1) is bonded in a single-bond geometry to one Ca(2) atom. In each CaLi cluster, Li(1) is bonded in a distorted single-bond geometry to one Ca(1) atom. The Li(1)-Ca(1) bond length is 0.58 Å. Ca(1) is bonded in a single-bond geometry to one Li(1) atom.