data_BaGa2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGa2Sb
_chemical_formula_sum   'Ba1 Ga2 Sb1'
_cell_volume   114.21
_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  0.42  0.42  0.0  1.0
  Ga  Ga1  1  0.42  0.0  0.43  1.0
  Ga  Ga2  1  0.0  0.42  0.43  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

data_BaGa2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaGa2Sb
_chemical_formula_sum   'Ba2 Ga4 Sb2'
_cell_volume   228.42
_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
  Ba  Ba0  2  0.42  0.0  -0.0  1.0
  Ga  Ga1  4  0.21  0.21  0.43  1.0
  Sb  Sb2  2  0.0  0.0  0.0  1.0

Ba Ga Ga Sb
Ba Ga Ga Sb 0 3 o o o 0 3 o + o 0 3 + o o 0 2 o o - 0 2 o o o 0 2 + o o 0 1 o o - 0 1 o o o 0 1 o + o 1 2 o - o 1 2 o o o 1 2 + o o 1 3 o o o 1 3 o o + 1 3 + o o 2 3 o o o 2 3 o o + 2 3 o + o 
BaGa2Sb crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 12-coordinate geometry to eight equivalent Ga(1) and four equivalent Sb(1) atoms. There are a spread of Ba(1)-Ga(1) bond distances ranging from 2.94-3.93 Å. There are a spread of Ba(1)-Sb(1) bond distances ranging from 2.89-3.96 Å. Ga(1) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Ga(1), and one Sb(1) atom. The Ga(1)-Ga(1) bond length is 2.89 Å. The Ga(1)-Sb(1) bond length is 2.94 Å. Sb(1) is bonded in a 6-coordinate geometry to four equivalent Ba(1) and two equivalent Ga(1) atoms.