data_LaNb2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   122.13
_cell_angle_beta   122.13
_cell_angle_gamma   86.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb2Sb
_chemical_formula_sum   'La1 Nb2 Sb1'
_cell_volume   80.14
_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  0.0  0.0  0.57  1.0
  Nb  Nb1  1  0.0  0.37  0.79  1.0
  Nb  Nb2  1  0.37  0.0  0.79  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

data_LaNb2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   133.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaNb2Sb
_chemical_formula_sum   'La2 Nb4 Sb2'
_cell_volume   160.29
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.57  1.0
  Nb  Nb1  4  0.32  0.32  0.42  1.0
  Sb  Sb2  2  0.0  0.0  0.0  1.0

La Nb Nb Sb
LaNb2Sb crystallizes in the monoclinic Cm space group. La(1) is bonded in a 4-coordinate geometry to two equivalent Nb(1) and two equivalent Sb(1) atoms. Both La(1)-Nb(1) bond lengths are 1.53 Å. There is one shorter (2.10 Å) and one longer (2.79 Å) La(1)-Sb(1) bond length. Nb(1) is bonded in a distorted single-bond geometry to one La(1) and two equivalent Sb(1) atoms. There is one shorter (2.53 Å) and one longer (2.68 Å) Nb(1)-Sb(1) bond length. Sb(1) is bonded in a 6-coordinate geometry to two equivalent La(1) and four equivalent Nb(1) atoms.