data_LiMgSnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgSnBi
_chemical_formula_sum   'Li1 Mg1 Sn1 Bi1'
_cell_volume   105.55
_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  0.63  0.63  0.63  1.0
  Sn  Sn3  1  0.88  0.88  0.88  1.0
  Bi  Bi0  1  0.75  0.75  0.75  1.0

data_LiMgSnBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   12.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiMgSnBi
_chemical_formula_sum   'Li3 Mg3 Sn3 Bi3'
_cell_volume   316.66
_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  0.37  1.0
  Sn  Sn2  3  0.0  0.0  0.12  1.0
  Bi  Bi3  3  0.0  0.0  0.25  1.0

Li Mg Sn Bi
Li Mg Sn Bi 0 2 - - - 1 3 o o o 2 3 o o o 
LiMgSnBi is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three LiMgSnBi clusters. Li(1) is bonded in a single-bond geometry to one Sn(1) atom. The Li(1)-Sn(1) bond length is 1.62 Å. Mg(1) is bonded in a single-bond geometry to one Bi(1) atom. The Mg(1)-Bi(1) bond length is 1.62 Å. Sn(1) is bonded in a 1-coordinate geometry to one Li(1) and one Bi(1) atom. The Sn(1)-Bi(1) bond length is 1.62 Å. Bi(1) is bonded in a 2-coordinate geometry to one Mg(1) and one Sn(1) atom.