data_BaMn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2Sb
_chemical_formula_sum   'Ba1 Mn2 Sb1'
_cell_volume   101.37
_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
  Ba  Ba0  1  0.0  0.0  0.74  1.0
  Mn  Mn1  1  0.84  0.84  0.2  1.0
  Mn  Mn2  1  0.84  0.84  0.28  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

data_BaMn2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaMn2Sb
_chemical_formula_sum   'Ba2 Mn4 Sb2'
_cell_volume   202.75
_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  0.0  0.0  0.74  1.0
  Mn  Mn1  2  0.34  0.5  0.2  1.0
  Mn  Mn2  2  0.34  0.5  0.28  1.0
  Sb  Sb3  2  0.0  0.0  0.0  1.0

Ba Mn Mn Sb
BaMn2Sb crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaMn2Sb clusters. Ba(1) is bonded in a single-bond geometry to one Sb(1) atom. The Ba(1)-Sb(1) bond length is 1.96 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a bent 150 degrees geometry to one Mn(2) and one Sb(1) atom. The Mn(1)-Mn(2) bond length is 0.55 Å. The Mn(1)-Sb(1) bond length is 1.72 Å. In the second Mn site, Mn(2) is bonded in a distorted single-bond geometry to one Mn(1) atom. Sb(1) is bonded in a bent 150 degrees geometry to one Ba(1) and one Mn(1) atom.