data_ScBeInBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBeInBi
_chemical_formula_sum   'Sc1 Be1 In1 Bi1'
_cell_volume   93.11
_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  0.4  0.4  0.4  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  In  In2  1  0.6  0.6  0.6  1.0
  Bi  Bi1  1  0.8  0.8  0.8  1.0

data_ScBeInBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   12.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ScBeInBi
_chemical_formula_sum   'Sc3 Be3 In3 Bi3'
_cell_volume   279.32
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.6  1.0
  Be  Be1  3  0.0  0.0  0.0  1.0
  In  In2  3  0.0  0.0  0.4  1.0
  Bi  Bi3  3  0.0  0.0  0.2  1.0

Sc Be In Bi
Sc Be In Bi 0 2 o - o 0 2 - o o 0 2 o o - 0 2 o o o 0 1 o o + 0 1 o + o 0 1 + o o 0 3 - o o 0 3 o - o 0 3 o o - 1 3 - - - 1 3 - - o 1 3 o - - 1 3 - o - 1 2 - - o 1 2 - o - 1 2 o - - 2 3 o o o 
BeScInBi crystallizes in the trigonal R3m space group. Be(1) is bonded in a distorted single-bond geometry to three equivalent Sc(1) and one Bi(1) atom. All Be(1)-Sc(1) bond lengths are 3.04 Å. The Be(1)-Bi(1) bond length is 2.51 Å. Sc(1) is bonded in a 10-coordinate geometry to three equivalent Be(1), four equivalent In(1), and three equivalent Bi(1) atoms. There is one shorter (2.51 Å) and three longer (3.37 Å) Sc(1)-In(1) bond lengths. All Sc(1)-Bi(1) bond lengths are 3.06 Å. In(1) is bonded in a distorted linear geometry to four equivalent Sc(1) and one Bi(1) atom. The In(1)-Bi(1) bond length is 2.51 Å. Bi(1) is bonded in a 5-coordinate geometry to one Be(1), three equivalent Sc(1), and one In(1) atom.