data_Li4AgPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4AgPt
_chemical_formula_sum   'Li4 Ag1 Pt1'
_cell_volume   83.8
_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  0.33  0.33  0.61  1.0
  Li  Li2  1  0.33  0.61  0.33  1.0
  Li  Li3  1  0.61  0.33  0.33  1.0
  Li  Li4  1  0.61  0.61  0.61  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Pt  Pt5  1  0.21  0.21  0.21  1.0

data_Li4AgPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   12.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Li4AgPt
_chemical_formula_sum   'Li12 Ag3 Pt3'
_cell_volume   251.39
_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  9  0.09  0.19  0.57  1.0
  Li  Li1  3  0.0  0.0  0.39  1.0
  Ag  Ag2  3  0.0  0.0  0.0  1.0
  Pt  Pt3  3  0.0  0.0  0.79  1.0

Li Li Li Li Ag Pt
Li4PtAg crystallizes in the trigonal R3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Pt(1), and one Ag(1) atom. Both Li(1)-Li(1) bond lengths are 1.39 Å. The Li(1)-Pt(1) bond length is 2.47 Å. The Li(1)-Ag(1) bond length is 2.32 Å. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to three equivalent Pt(1) and three equivalent Ag(1) atoms. All Li(2)-Pt(1) bond lengths are 2.96 Å. All Li(2)-Ag(1) bond lengths are 2.90 Å. Pt(1) is bonded in a 3-coordinate geometry to three equivalent Li(1) and three equivalent Li(2) atoms. Ag(1) is bonded in a 3-coordinate geometry to three equivalent Li(1) and three equivalent Li(2) atoms.