data_MnBiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   8.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBiSb2
_chemical_formula_sum   'Mn1 Bi1 Sb2'
_cell_volume   96.13
_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
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.15  1.0
  Sb  Sb2  1  0.7  0.7  0.55  1.0
  Sb  Sb3  1  0.7  0.7  0.74  1.0

data_MnBiSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   8.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnBiSb2
_chemical_formula_sum   'Mn2 Bi2 Sb4'
_cell_volume   192.26
_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
  Mn  Mn0  2  0.0  0.0  0.0  1.0
  Bi  Bi1  2  0.0  0.0  0.15  1.0
  Sb  Sb2  2  0.2  0.5  0.55  1.0
  Sb  Sb3  2  0.2  0.5  0.74  1.0

Mn Bi Sb Sb
Mn Bi Sb Sb 0 1 o o o 2 3 o o o 
MnBiSb2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MnBiSb2 clusters. Mn(1) is bonded in a distorted single-bond geometry to one Bi(1) and one Sb(2) atom. The Mn(1)-Bi(1) bond length is 1.22 Å. The Mn(1)-Sb(2) bond length is 2.57 Å. Bi(1) is bonded in a single-bond geometry to one Mn(1) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a single-bond geometry to one Sb(2) atom. The Sb(1)-Sb(2) bond length is 1.58 Å. In the second Sb site, Sb(2) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one Sb(1) atom.