data_Li2AgSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2AgSe
_chemical_formula_sum   'Li2 Ag1 Se1'
_cell_volume   68.85
_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  Li1  1  0.64  0.64  0.03  1.0
  Li  Li2  1  0.64  0.64  0.38  1.0
  Ag  Ag0  1  0.0  0.0  0.21  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Li2AgSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2AgSe
_chemical_formula_sum   'Li4 Ag2 Se2'
_cell_volume   137.7
_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  0.14  0.5  0.03  1.0
  Li  Li1  2  0.14  0.5  0.38  1.0
  Ag  Ag2  2  0.0  0.0  0.21  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

Li Li Ag Se
Li2AgSe is alpha Niobium phosphide-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Li2AgSe clusters. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 1-coordinate geometry to one Se(1) atom. The Li(1)-Se(1) bond length is 1.69 Å. In the second Li site, Li(2) is bonded in a 1-coordinate geometry to one Ag(1) atom. The Li(2)-Ag(1) bond length is 2.02 Å. Ag(1) is bonded in a 1-coordinate geometry to one Li(2) and one Se(1) atom. The Ag(1)-Se(1) bond length is 1.34 Å. Se(1) is bonded in a 2-coordinate geometry to one Li(1) and one Ag(1) atom.