data_BaNi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.26
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   106.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNi2Sb
_chemical_formula_sum   'Ba1 Ni2 Sb1'
_cell_volume   99.54
_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
  Ba  Ba0  1  0.13  0.13  0.17  1.0
  Ni  Ni1  1  0.86  0.0  0.47  1.0
  Ni  Ni2  1  0.85  0.13  0.89  1.0
  Sb  Sb3  1  0.16  0.0  0.36  1.0

data_BaNi2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.53
_cell_length_c   5.38
_cell_angle_alpha   106.33
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNi2Sb
_chemical_formula_sum   'Ba1 Ni2 Sb1'
_cell_volume   99.54
_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
  Ba  Ba0  1  0.87  0.87  0.83  1.0
  Ni  Ni1  1  0.0  0.14  0.53  1.0
  Ni  Ni2  1  0.87  0.15  0.11  1.0
  Sb  Sb3  1  0.0  0.84  0.64  1.0

Ba Ni Ni Sb
BaNi2Sb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaNi2Sb cluster. Ba(1) is bonded in a 2-coordinate geometry to one Ni(2) and one Sb(1) atom. The Ba(1)-Ni(2) bond length is 1.68 Å. The Ba(1)-Sb(1) bond length is 1.15 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted single-bond geometry to one Sb(1) atom. The Ni(1)-Sb(1) bond length is 1.63 Å. In the second Ni site, Ni(2) is bonded in a single-bond geometry to one Ba(1) atom. Sb(1) is bonded in a distorted single-bond geometry to one Ba(1) and one Ni(1) atom.