data_LiLaScIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaScIn
_chemical_formula_sum   'Li1 La1 Sc1 In1'
_cell_volume   99.2
_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  Li2  1  0.0  0.0  0.0  1.0
  La  La1  1  0.84  0.84  0.84  1.0
  Sc  Sc3  1  0.67  0.67  0.67  1.0
  In  In0  1  0.51  0.51  0.51  1.0

data_LiLaScIn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiLaScIn
_chemical_formula_sum   'Li3 La3 Sc3 In3'
_cell_volume   297.59
_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
  La  La1  3  0.0  0.0  0.16  1.0
  Sc  Sc2  3  0.0  0.0  0.33  1.0
  In  In3  3  0.0  0.0  0.49  1.0

Li La Sc In
LiLaScIn crystallizes in the trigonal R3m space group. Li(1) is bonded to one La(1) and three equivalent Sc(1) atoms to form distorted LiLaSc3 trigonal pyramids that share corners with three equivalent La(1)LiScIn3 trigonal bipyramids, corners with six equivalent Li(1)LaSc3 trigonal pyramids, and edges with three equivalent In(1)La3Sc trigonal pyramids. The Li(1)-La(1) bond length is 2.07 Å. All Li(1)-Sc(1) bond lengths are 3.00 Å. La(1) is bonded to one Li(1), one Sc(1), and three equivalent In(1) atoms to form distorted LaLiScIn3 trigonal bipyramids that share corners with six equivalent La(1)LiScIn3 trigonal bipyramids,  a cornercorner with one In(1)La3Sc trigonal pyramid, and corners with three equivalent Li(1)LaSc3 trigonal pyramids. The La(1)-Sc(1) bond length is 2.07 Å. All La(1)-In(1) bond lengths are 3.00 Å. Sc(1) is bonded in a distorted linear geometry to three equivalent Li(1), one La(1), and one In(1) atom. The Sc(1)-In(1) bond length is 2.07 Å. In(1) is bonded to three equivalent La(1) and one Sc(1) atom to form distorted InLa3Sc trigonal pyramids that share  a cornercorner with one La(1)LiScIn3 trigonal bipyramid, corners with six equivalent In(1)La3Sc trigonal pyramids, and edges with three equivalent Li(1)LaSc3 trigonal pyramids.