data_ScMnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.51
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMnBi2
_chemical_formula_sum   'Sc1 Mn1 Bi2'
_cell_volume   105.97
_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
  Sc  Sc3  1  0.0  0.0  0.03  1.0
  Mn  Mn2  1  0.76  0.76  0.56  1.0
  Bi  Bi0  1  0.76  0.76  0.9  1.0
  Bi  Bi1  1  0.0  0.0  0.99  1.0

data_ScMnBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScMnBi2
_chemical_formula_sum   'Sc2 Mn2 Bi4'
_cell_volume   211.94
_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
  Sc  Sc0  2  0.0  0.0  0.03  1.0
  Mn  Mn1  2  0.26  0.5  0.56  1.0
  Bi  Bi2  2  0.0  0.0  0.99  1.0
  Bi  Bi3  2  0.26  0.5  0.9  1.0

Sc Mn Bi Bi
ScMnBi2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ScMnBi2 clusters. Sc(1) is bonded in a single-bond geometry to one Bi(2) atom. The Sc(1)-Bi(2) bond length is 0.32 Å. Mn(1) is bonded in a single-bond geometry to one Bi(1) atom. The Mn(1)-Bi(1) bond length is 2.95 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one Bi(2) atom. The Bi(1)-Bi(2) bond length is 1.43 Å. In the second Bi site, Bi(2) is bonded in a single-bond geometry to one Sc(1) and one Bi(1) atom.