data_NbCdIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCdIn
_chemical_formula_sum   'Nb1 Cd1 In1'
_cell_volume   71.07
_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
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.64  0.64  0.64  1.0
  In  In1  1  0.29  0.29  0.29  1.0

data_NbCdIn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   11.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NbCdIn
_chemical_formula_sum   'Nb3 Cd3 In3'
_cell_volume   213.21
_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
  Nb  Nb0  3  0.0  0.0  0.0  1.0
  Cd  Cd1  3  0.0  0.0  0.36  1.0
  In  In2  3  0.0  0.0  0.71  1.0

Nb Cd In
Nb Cd In 0 1 - - o 0 1 - o - 0 1 o - - 0 2 - o o 0 2 o - o 0 2 o o - 1 2 o o + 1 2 o + o 1 2 + o o 
NbCdIn crystallizes in the trigonal R3m space group. Nb(1) is bonded to three equivalent Cd(1) and four equivalent In(1) atoms to form NbCd3In4 hexagonal pyramids that share corners with three equivalent In(1)Nb4Cd3 hexagonal pyramids, corners with six equivalent Nb(1)Cd3In4 hexagonal pyramids, edges with three equivalent In(1)Nb4Cd3 hexagonal pyramids, and edges with six equivalent Nb(1)Cd3In4 hexagonal pyramids. All Nb(1)-Cd(1) bond lengths are 2.70 Å. There are three shorter (2.73 Å) and one longer (3.28 Å) Nb(1)-In(1) bond length. Cd(1) is bonded in a hexagonal planar geometry to three equivalent Nb(1) and three equivalent In(1) atoms. All Cd(1)-In(1) bond lengths are 2.70 Å. In(1) is bonded to four equivalent Nb(1) and three equivalent Cd(1) atoms to form InNb4Cd3 hexagonal pyramids that share corners with three equivalent Nb(1)Cd3In4 hexagonal pyramids, corners with six equivalent In(1)Nb4Cd3 hexagonal pyramids, edges with three equivalent Nb(1)Cd3In4 hexagonal pyramids, and edges with six equivalent In(1)Nb4Cd3 hexagonal pyramids.