data_LiMgAgSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgAgSn
_chemical_formula_sum   'Li1 Mg1 Ag1 Sn1'
_cell_volume   78.75
_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  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.4  0.4  0.4  1.0
  Ag  Ag0  1  0.7  0.7  0.7  1.0
  Sn  Sn3  1  0.1  0.1  0.1  1.0

data_LiMgAgSn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   11.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiMgAgSn
_chemical_formula_sum   'Li3 Mg3 Ag3 Sn3'
_cell_volume   236.25
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Mg  Mg1  3  0.0  0.0  0.6  1.0
  Ag  Ag2  3  0.0  0.0  0.3  1.0
  Sn  Sn3  3  0.0  0.0  0.9  1.0

Li Mg Ag Sn
Li Mg Ag Sn 0 3 o o o 0 1 o o - 0 1 o - o 0 1 - o o 0 2 o - - 0 2 - o - 0 2 - - o 1 3 o o + 1 3 o + o 1 3 + o o 1 2 - o o 1 2 o - o 1 2 o o - 2 3 o + + 2 3 + o + 2 3 + + o 
LiMgAgSn crystallizes in the trigonal R3m space group. Li(1) is bonded in a single-bond geometry to three equivalent Mg(1), three equivalent Ag(1), and one Sn(1) atom. All Li(1)-Mg(1) bond lengths are 2.89 Å. All Li(1)-Ag(1) bond lengths are 2.81 Å. The Li(1)-Sn(1) bond length is 1.21 Å. Mg(1) is bonded in a 11-coordinate geometry to three equivalent Li(1), four equivalent Ag(1), and four equivalent Sn(1) atoms. There are three shorter (2.81 Å) and one longer (3.52 Å) Mg(1)-Ag(1) bond length. There are three shorter (2.81 Å) and one longer (3.52 Å) Mg(1)-Sn(1) bond length. Ag(1) is bonded in a 6-coordinate geometry to three equivalent Li(1) and four equivalent Mg(1) atoms. Sn(1) is bonded in a single-bond geometry to one Li(1) and four equivalent Mg(1) atoms.