data_LiCa2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.64
_cell_length_b   9.64
_cell_length_c   9.64
_cell_angle_alpha   24.11
_cell_angle_beta   24.11
_cell_angle_gamma   24.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa2Ag
_chemical_formula_sum   'Li1 Ca2 Ag1'
_cell_volume   131.44
_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  0.0  1.0
  Ca  Ca1  1  0.0  0.0  0.43  1.0
  Ca  Ca2  1  0.0  0.0  0.64  1.0
  Ag  Ag0  1  0.0  0.0  0.04  1.0

data_LiCa2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.98
_cell_length_b   4.03
_cell_length_c   9.64
_cell_angle_alpha   90.0
_cell_angle_beta   103.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiCa2Ag
_chemical_formula_sum   'Li2 Ca4 Ag2'
_cell_volume   262.88
_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  0.0  1.0
  Ca  Ca1  2  0.0  0.0  0.36  1.0
  Ca  Ca2  2  0.0  0.0  0.57  1.0
  Ag  Ag3  2  0.0  0.0  0.96  1.0

Li Ca Ca Ag
LiCa2Ag is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LiCa2Ag clusters. Li(1) is bonded in a single-bond geometry to one Ag(1) atom. The Li(1)-Ag(1) bond length is 0.34 Å. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted linear geometry to one Ca(2) and one Ag(1) atom. The Ca(1)-Ca(2) bond length is 1.98 Å. The Ca(1)-Ag(1) bond length is 3.83 Å. In the second Ca site, Ca(2) is bonded in a distorted single-bond geometry to one Ca(1) atom. Ag(1) is bonded in a single-bond geometry to one Li(1) and one Ca(1) atom.