data_BaMn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   132.64
_cell_angle_beta   121.06
_cell_angle_gamma   78.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2Sb
_chemical_formula_sum   'Ba1 Mn2 Sb1'
_cell_volume   104.92
_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  0.29  1.0
  Mn  Mn1  1  0.23  0.0  0.78  1.0
  Mn  Mn2  1  0.0  0.74  0.51  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

data_BaMn2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   5.47
_cell_length_c   5.56
_cell_angle_alpha   119.47
_cell_angle_beta   113.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2Sb
_chemical_formula_sum   'Ba1 Mn2 Sb1'
_cell_volume   104.92
_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  0.71  0.71  0.71  1.0
  Mn  Mn1  1  0.45  0.22  0.45  1.0
  Mn  Mn2  1  0.49  0.22  0.22  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

Ba Mn Mn Sb
BaMn2Sb crystallizes in the triclinic P1 space group. Ba(1) is bonded in a distorted single-bond geometry to one Mn(2), two equivalent Mn(1), and one Sb(1) atom. The Ba(1)-Mn(2) bond length is 2.46 Å. There is one shorter (2.32 Å) and one longer (3.71 Å) Ba(1)-Mn(1) bond length. The Ba(1)-Sb(1) bond length is 1.64 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Mn(2), and one Sb(1) atom. The Mn(1)-Mn(2) bond length is 1.36 Å. The Mn(1)-Sb(1) bond length is 2.19 Å. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to one Ba(1), one Mn(1), and two equivalent Sb(1) atoms. There is one shorter (2.02 Å) and one longer (3.01 Å) Mn(2)-Sb(1) bond length. Sb(1) is bonded in a 1-coordinate geometry to one Ba(1), one Mn(1), and two equivalent Mn(2) atoms.