data_La2SiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2SiSb
_chemical_formula_sum   'La2 Si1 Sb1'
_cell_volume   106.77
_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
  La  La0  1  0.65  0.65  0.65  1.0
  La  La1  1  0.77  0.77  0.77  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.88  0.88  0.88  1.0

data_La2SiSb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   13.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   La2SiSb
_chemical_formula_sum   'La6 Si3 Sb3'
_cell_volume   320.3
_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
  La  La0  3  0.0  0.0  0.23  1.0
  La  La1  3  0.0  0.0  0.35  1.0
  Si  Si2  3  0.0  0.0  0.0  1.0
  Sb  Sb3  3  0.0  0.0  0.12  1.0

La La Si Sb
La La Si Sb 0 1 o o o 1 3 o o o 2 3 - - - 
La2SiSb crystallizes in the trigonal R3m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one La(2), three equivalent Si(1), and three equivalent Sb(1) atoms. The La(1)-La(2) bond length is 1.53 Å. All La(1)-Si(1) bond lengths are 3.08 Å. All La(1)-Sb(1) bond lengths are 3.33 Å. In the second La site, La(2) is bonded in a distorted single-bond geometry to one La(1) and one Sb(1) atom. The La(2)-Sb(1) bond length is 1.53 Å. Si(1) is bonded in a distorted single-bond geometry to three equivalent La(1) and one Sb(1) atom. The Si(1)-Sb(1) bond length is 1.53 Å. Sb(1) is bonded in a distorted linear geometry to one La(2), three equivalent La(1), and one Si(1) atom.