data_LaSb2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   6.16
_cell_angle_alpha   110.96
_cell_angle_beta   110.96
_cell_angle_gamma   50.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSb2Ru
_chemical_formula_sum   'La1 Sb2 Ru1'
_cell_volume   103.65
_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  0.83  0.0  0.63  1.0
  Sb  Sb2  1  0.17  0.0  0.74  1.0
  Sb  Sb3  1  0.23  0.0  0.59  1.0
  Ru  Ru1  1  0.27  0.0  0.51  1.0

data_LaSb2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.86
_cell_length_c   6.16
_cell_angle_alpha   110.96
_cell_angle_beta   90.0
_cell_angle_gamma   115.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSb2Ru
_chemical_formula_sum   'La1 Sb2 Ru1'
_cell_volume   103.65
_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  0.17  0.37  1.0
  Sb  Sb1  1  0.0  0.77  0.41  1.0
  Sb  Sb2  1  0.0  0.83  0.26  1.0
  Ru  Ru3  1  0.0  0.73  0.49  1.0

La Sb Sb Ru
La Sb Sb Ru 0 1 + o o 1 2 o o o 2 3 o o o 
LaRuSb2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LaRuSb2 cluster. La(1) is bonded in a 1-coordinate geometry to one Sb(1) atom. The La(1)-Sb(1) bond length is 1.52 Å. Ru(1) is bonded in a distorted single-bond geometry to one Sb(2) atom. The Ru(1)-Sb(2) bond length is 0.59 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted water-like geometry to one La(1) and one Sb(2) atom. The Sb(1)-Sb(2) bond length is 1.09 Å. In the second Sb site, Sb(2) is bonded in a distorted single-bond geometry to one Ru(1) and one Sb(1) atom.