data_LaSbMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   9.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSbMo2
_chemical_formula_sum   'La1 Sb1 Mo2'
_cell_volume   83.37
_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  0.53  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.73  0.0  0.98  1.0
  Mo  Mo2  1  0.73  0.0  0.08  1.0

data_LaSbMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   9.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSbMo2
_chemical_formula_sum   'La1 Sb1 Mo2'
_cell_volume   83.37
_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  0.53  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.73  0.0  0.08  1.0
  Mo  Mo3  1  0.73  0.0  0.98  1.0

La Sb Mo Mo
La Sb Mo Mo 0 0 + + o 0 0 o + o 0 0 + o o 1 2 - o - 2 3 o o + 
LaMo2Sb crystallizes in the triclinic P1 space group. La(1) is bonded in a 8-coordinate geometry to six equivalent La(1), one Mo(1), and one Mo(2) atom. There are four shorter (3.17 Å) and two longer (3.47 Å) La(1)-La(1) bond lengths. The La(1)-Mo(1) bond length is 4.15 Å. The La(1)-Mo(2) bond length is 4.15 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 2-coordinate geometry to one La(1), one Mo(2), and one Sb(1) atom. The Mo(1)-Mo(2) bond length is 0.94 Å. The Mo(1)-Sb(1) bond length is 0.86 Å. In the second Mo site, Mo(2) is bonded in a 2-coordinate geometry to one La(1), one Mo(1), and one Sb(1) atom. The Mo(2)-Sb(1) bond length is 1.14 Å. Sb(1) is bonded in a 2-coordinate geometry to one Mo(1) and one Mo(2) atom.