data_LiSnBiRu
_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   LiSnBiRu
_chemical_formula_sum   'Li1 Sn1 Bi1 Ru1'
_cell_volume   83.76
_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
  Sn  Sn3  1  0.74  0.74  0.74  1.0
  Bi  Bi0  1  0.47  0.47  0.47  1.0
  Ru  Ru2  1  0.21  0.21  0.21  1.0

data_LiSnBiRu
_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   LiSnBiRu
_chemical_formula_sum   'Li3 Sn3 Bi3 Ru3'
_cell_volume   251.28
_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
  Sn  Sn1  3  0.0  0.0  0.26  1.0
  Bi  Bi2  3  0.0  0.0  0.53  1.0
  Ru  Ru3  3  0.0  0.0  0.79  1.0

Li Sn Bi Ru
LiRuSnBi crystallizes in the trigonal R3m space group. Li(1) is bonded in a 1-coordinate geometry to one Ru(1), four equivalent Sn(1), and three equivalent Bi(1) atoms. The Li(1)-Ru(1) bond length is 2.51 Å. There are three shorter (2.96 Å) and one longer (3.17 Å) Li(1)-Sn(1) bond length. All Li(1)-Bi(1) bond lengths are 3.29 Å. Ru(1) is bonded in a distorted single-bond geometry to one Li(1), three equivalent Sn(1), and four equivalent Bi(1) atoms. All Ru(1)-Sn(1) bond lengths are 3.29 Å. There are three shorter (2.96 Å) and one longer (3.17 Å) Ru(1)-Bi(1) bond length. Sn(1) is bonded in a 11-coordinate geometry to four equivalent Li(1), three equivalent Ru(1), and four equivalent Bi(1) atoms. There are three shorter (2.96 Å) and one longer (3.17 Å) Sn(1)-Bi(1) bond length. Bi(1) is bonded in a distorted q6 geometry to three equivalent Li(1), four equivalent Ru(1), and four equivalent Sn(1) atoms.