data_ScMnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   5.98
_cell_length_c   5.98
_cell_angle_alpha   39.31
_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   98.52
_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  0.25  1.0
  Mn  Mn2  1  0.18  0.0  0.08  1.0
  Bi  Bi0  1  0.18  0.0  0.13  1.0
  Bi  Bi1  1  0.0  0.0  0.36  1.0

data_ScMnBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   4.35
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   109.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMnBi2
_chemical_formula_sum   'Sc1 Mn1 Bi2'
_cell_volume   98.52
_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  Sc0  1  0.75  0.0  0.75  1.0
  Mn  Mn1  1  0.92  0.18  0.92  1.0
  Bi  Bi2  1  0.64  0.0  0.64  1.0
  Bi  Bi3  1  0.87  0.18  0.87  1.0

Sc Mn Bi Bi
ScMnBi2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ScMnBi2 cluster. Sc(1) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one Bi(2) atom. The Sc(1)-Bi(1) bond length is 1.04 Å. The Sc(1)-Bi(2) bond length is 0.65 Å. Mn(1) is bonded in a single-bond geometry to one Bi(1) atom. The Mn(1)-Bi(1) bond length is 0.31 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 Sc(1) and one Mn(1) atom. In the second Bi site, Bi(2) is bonded in a single-bond geometry to one Sc(1) atom.