data_LiNbInNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbInNi
_chemical_formula_sum   'Li1 Nb1 In1 Ni1'
_cell_volume   64.49
_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
  Nb  Nb2  1  0.18  0.18  0.18  1.0
  In  In0  1  0.59  0.59  0.59  1.0
  Ni  Ni3  1  0.77  0.77  0.77  1.0

data_LiNbInNi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   11.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiNbInNi
_chemical_formula_sum   'Li3 Nb3 In3 Ni3'
_cell_volume   193.48
_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
  Nb  Nb1  3  0.0  0.0  0.82  1.0
  In  In2  3  0.0  0.0  0.41  1.0
  Ni  Ni3  3  0.0  0.0  0.23  1.0

Li Nb In Ni
Li Nb In Ni 0 3 - - - 0 1 o o o 2 3 o o o 
LiNbNiIn crystallizes in the trigonal R3m space group. Li(1) is bonded in a 11-coordinate geometry to four equivalent Nb(1), four equivalent Ni(1), and three equivalent In(1) atoms. There is one shorter (2.02 Å) and three longer (3.08 Å) Li(1)-Nb(1) bond lengths. There is one shorter (2.49 Å) and three longer (2.86 Å) Li(1)-Ni(1) bond lengths. All Li(1)-In(1) bond lengths are 2.73 Å. Nb(1) is bonded in a distorted single-bond geometry to four equivalent Li(1) and three equivalent In(1) atoms. All Nb(1)-In(1) bond lengths are 2.73 Å. Ni(1) is bonded in a 2-coordinate geometry to four equivalent Li(1) and one In(1) atom. The Ni(1)-In(1) bond length is 2.02 Å. In(1) is bonded in a 7-coordinate geometry to three equivalent Li(1), three equivalent Nb(1), and one Ni(1) atom.