data_NaSbCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSbCl
_chemical_formula_sum   'Na1 Sb1 Cl1'
_cell_volume   95.08
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.62  0.62  0.62  1.0
  Cl  Cl0  1  0.43  0.43  0.43  1.0

data_NaSbCl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   12.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaSbCl
_chemical_formula_sum   'Na3 Sb3 Cl3'
_cell_volume   285.24
_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
  Na  Na0  3  0.0  0.0  0.0  1.0
  Sb  Sb1  3  0.0  0.0  0.38  1.0
  Cl  Cl2  3  0.0  0.0  0.57  1.0

Na Sb Cl
NaSbCl is half-Heusler structured and crystallizes in the trigonal R3m space group. Na(1) is bonded in a hexagonal planar geometry to three equivalent Sb(1) and three equivalent Cl(1) atoms. All Na(1)-Sb(1) bond lengths are 3.01 Å. All Na(1)-Cl(1) bond lengths are 3.22 Å. Sb(1) is bonded to three equivalent Na(1) and one Cl(1) atom to form distorted SbNa3Cl tetrahedra that share corners with three equivalent Cl(1)Na3Sb tetrahedra, corners with six equivalent Sb(1)Na3Cl tetrahedra, and edges with three equivalent Cl(1)Na3Sb tetrahedra. The Sb(1)-Cl(1) bond length is 2.37 Å. Cl(1) is bonded to three equivalent Na(1) and one Sb(1) atom to form ClNa3Sb tetrahedra that share corners with three equivalent Sb(1)Na3Cl tetrahedra, corners with six equivalent Cl(1)Na3Sb tetrahedra, and edges with three equivalent Sb(1)Na3Cl tetrahedra.