data_BaYSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYSb
_chemical_formula_sum   'Ba1 Y1 Sb1'
_cell_volume   134.0
_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  0.28  0.31  0.45  1.0
  Y  Y2  1  0.0  0.0  0.25  1.0
  Sb  Sb1  1  0.0  0.63  0.77  1.0

data_BaYSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYSb
_chemical_formula_sum   'Ba1 Y1 Sb1'
_cell_volume   134.0
_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  0.28  0.31  0.45  1.0
  Y  Y1  1  0.0  0.0  0.25  1.0
  Sb  Sb2  1  0.0  0.63  0.77  1.0

Ba Y Sb
BaYSb crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 1-coordinate geometry to one Y(1) and three equivalent Sb(1) atoms. The Ba(1)-Y(1) bond length is 2.01 Å. There are a spread of Ba(1)-Sb(1) bond distances ranging from 3.36-3.76 Å. Y(1) is bonded in a distorted single-bond geometry to one Ba(1) and one Sb(1) atom. The Y(1)-Sb(1) bond length is 3.93 Å. Sb(1) is bonded in a 4-coordinate geometry to three equivalent Ba(1) and one Y(1) atom.