data_LiAg2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   8.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAg2As
_chemical_formula_sum   'Li1 Ag2 As1'
_cell_volume   71.16
_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
  Ag  Ag0  1  0.98  0.0  0.03  1.0
  Ag  Ag1  1  0.98  0.0  0.77  1.0
  As  As2  1  0.0  0.0  0.4  1.0

data_LiAg2As
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   8.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiAg2As
_chemical_formula_sum   'Li1 Ag2 As1'
_cell_volume   71.2
_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  0.0  1.0
  Ag  Ag1  1  0.98  0.0  0.03  1.0
  Ag  Ag2  1  0.98  0.0  0.77  1.0
  As  As3  1  0.0  0.0  0.4  1.0

Li Ag Ag As
Li Ag Ag As 0 1 - o o 0 2 - o - 1 2 o o - 1 3 + o o 2 3 + o o 3 3 o + o 3 3 + o o 
LiAg2As crystallizes in the monoclinic Pm space group. Li(1) is bonded in a single-bond geometry to one Ag(1) and one Ag(2) atom. The Li(1)-Ag(1) bond length is 0.27 Å. The Li(1)-Ag(2) bond length is 2.04 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a single-bond geometry to one Li(1) and one As(1) atom. The Ag(1)-As(1) bond length is 3.25 Å. In the second Ag site, Ag(2) is bonded in a single-bond geometry to one Li(1) and one As(1) atom. The Ag(2)-As(1) bond length is 3.25 Å. As(1) is bonded to one Ag(1), one Ag(2), and four equivalent As(1) atoms to form a mixture of corner and edge-sharing AsAg2As4 octahedra. The corner-sharing octahedra are not tilted. All As(1)-As(1) bond lengths are 2.84 Å.