data_LiCu2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCu2Ag
_chemical_formula_sum   'Li1 Cu2 Ag1'
_cell_volume   56.66
_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  0.9  1.0
  Cu  Cu1  1  0.0  0.0  0.35  1.0
  Cu  Cu2  1  0.91  0.0  0.75  1.0
  Ag  Ag0  1  0.91  0.0  0.81  1.0

data_LiCu2Ag
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiCu2Ag
_chemical_formula_sum   'Li1 Cu2 Ag1'
_cell_volume   56.68
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Li0  1  0.0  0.0  0.9  1.0
  Cu  Cu1  1  0.0  0.0  0.35  1.0
  Cu  Cu2  1  0.91  0.0  0.75  1.0
  Ag  Ag3  1  0.91  0.0  0.81  1.0

Li Cu Cu Ag
LiAgCu2 crystallizes in the monoclinic Pm space group. Li(1) is bonded in a single-bond geometry to one Ag(1) and one Cu(1) atom. The Li(1)-Ag(1) bond length is 0.73 Å. The Li(1)-Cu(1) bond length is 3.38 Å. Ag(1) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one Cu(2) atom. The Ag(1)-Cu(2) bond length is 0.48 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Li(1), one Cu(2), and four equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing CuLiCu5 octahedra. The corner-sharing octahedra are not tilted. The Cu(1)-Cu(2) bond length is 2.99 Å. All Cu(1)-Cu(1) bond lengths are 2.75 Å. In the second Cu site, Cu(2) is bonded in a single-bond geometry to one Ag(1) and one Cu(1) atom.