data_ScTa2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   8.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa2Bi
_chemical_formula_sum   'Sc1 Ta2 Bi1'
_cell_volume   87.04
_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  Sc1  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.56  0.56  0.15  1.0
  Ta  Ta3  1  0.56  0.56  0.83  1.0
  Bi  Bi0  1  0.0  0.0  0.49  1.0

data_ScTa2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   8.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScTa2Bi
_chemical_formula_sum   'Sc2 Ta4 Bi2'
_cell_volume   174.07
_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  0.0  1.0
  Ta  Ta1  2  0.06  0.5  0.15  1.0
  Ta  Ta2  2  0.06  0.5  0.83  1.0
  Bi  Bi3  2  0.0  0.0  0.49  1.0

Sc Ta Ta Bi
ScTa2Bi crystallizes in the monoclinic Cm space group. Sc(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ta(1) and four equivalent Ta(2) atoms. There are a spread of Sc(1)-Ta(1) bond distances ranging from 2.35-2.78 Å. There are a spread of Sc(1)-Ta(2) bond distances ranging from 2.46-2.87 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 4-coordinate geometry to four equivalent Sc(1) and three equivalent Bi(1) atoms. There is one shorter (3.65 Å) and two longer (3.80 Å) Ta(1)-Bi(1) bond lengths. In the second Ta site, Ta(2) is bonded in a 3-coordinate geometry to four equivalent Sc(1) and three equivalent Bi(1) atoms. There is one shorter (3.65 Å) and two longer (3.80 Å) Ta(2)-Bi(1) bond lengths. Bi(1) is bonded in a 10-coordinate geometry to three equivalent Ta(1), three equivalent Ta(2), and four equivalent Bi(1) atoms. All Bi(1)-Bi(1) bond lengths are 3.11 Å.