data_LiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAg
_chemical_formula_sum   'Li4 Ag4'
_cell_volume   139.53
_cell_formula_units_Z   4
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  Li4  1  0.0  0.0  0.01  1.0
  Li  Li5  1  0.0  0.0  0.02  1.0
  Li  Li6  1  0.24  0.29  0.02  1.0
  Li  Li7  1  0.0  0.59  0.01  1.0
  Ag  Ag0  1  0.24  0.29  0.63  1.0
  Ag  Ag1  1  0.0  0.59  0.64  1.0
  Ag  Ag2  1  0.0  0.59  0.4  1.0
  Ag  Ag3  1  0.24  0.29  0.39  1.0

data_LiAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAg
_chemical_formula_sum   'Li4 Ag4'
_cell_volume   139.53
_cell_formula_units_Z   4
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  Li0  1  0.0  0.0  0.01  1.0
  Li  Li1  1  0.0  0.0  0.02  1.0
  Li  Li2  1  0.0  0.59  0.01  1.0
  Li  Li3  1  0.24  0.29  0.02  1.0
  Ag  Ag4  1  0.0  0.59  0.4  1.0
  Ag  Ag5  1  0.0  0.59  0.64  1.0
  Ag  Ag6  1  0.24  0.29  0.39  1.0
  Ag  Ag7  1  0.24  0.29  0.63  1.0

Li Li Li Li Ag Ag Ag Ag
Li Li Li Li Ag Ag Ag Ag 0 1 o o o 0 2 o o o 0 3 o - o 1 2 o o o 1 3 o - o 2 3 o o o 4 5 o o o 4 7 o o o 5 6 o o o 6 7 o o o 
LiAg crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a single-bond geometry to one Li(2), one Li(3), one Li(4), and one Ag(1) atom. The Li(1)-Li(2) bond length is 0.12 Å. The Li(1)-Li(3) bond length is 1.22 Å. The Li(1)-Li(4) bond length is 1.85 Å. The Li(1)-Ag(1) bond length is 3.27 Å. In the second Li site, Li(2) is bonded in a single-bond geometry to one Li(1), one Li(3), one Li(4), and one Ag(4) atom. The Li(2)-Li(3) bond length is 1.21 Å. The Li(2)-Li(4) bond length is 1.86 Å. The Li(2)-Ag(4) bond length is 3.16 Å. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), two equivalent Li(4), one Ag(1), and one Ag(4) atom. There is one shorter (2.07 Å) and one longer (2.98 Å) Li(3)-Li(4) bond length. The Li(3)-Ag(1) bond length is 3.16 Å. The Li(3)-Ag(4) bond length is 2.92 Å. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), two equivalent Li(3), one Ag(2), and one Ag(3) atom. The Li(4)-Ag(2) bond length is 2.92 Å. The Li(4)-Ag(3) bond length is 3.16 Å. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted hexagonal planar geometry to one Li(1), one Li(3), one Ag(4), and three equivalent Ag(2) atoms. The Ag(1)-Ag(4) bond length is 1.95 Å. There are a spread of Ag(1)-Ag(2) bond distances ranging from 2.07-2.98 Å. In the second Ag site, Ag(2) is bonded in a 5-coordinate geometry to one Li(4), one Ag(3), and three equivalent Ag(1) atoms. The Ag(2)-Ag(3) bond length is 1.95 Å. In the third Ag site, Ag(3) is bonded to one Li(4), one Ag(2), and three equivalent Ag(4) atoms to form distorted corner-sharing AgLiAg4 trigonal bipyramids. There are a spread of Ag(3)-Ag(4) bond distances ranging from 2.07-2.98 Å. In the fourth Ag site, Ag(4) is bonded in a distorted hexagonal planar geometry to one Li(2), one Li(3), one Ag(1), and three equivalent Ag(3) atoms.