data_SrSc2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2Bi
_chemical_formula_sum   'Sr1 Sc2 Bi1'
_cell_volume   113.68
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.41  0.0  0.44  1.0
  Sc  Sc2  1  0.0  0.41  0.44  1.0
  Bi  Bi0  1  0.41  0.41  0.0  1.0

data_SrSc2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.82
_cell_length_b   6.82
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrSc2Bi
_chemical_formula_sum   'Sr2 Sc4 Bi2'
_cell_volume   227.36
_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
  Sr  Sr0  2  0.0  0.0  0.0  1.0
  Sc  Sc1  4  0.21  0.21  0.44  1.0
  Bi  Bi2  2  0.41  0.0  0.0  1.0

Sr Sc Sc Bi
Sr Sc Sc Bi 0 3 - o o 0 3 o - o 0 3 o o o 0 1 - o o 0 1 o o - 0 1 o o o 0 2 o - o 0 2 o o - 0 2 o o o 1 2 o - o 1 2 o o o 1 2 + o o 1 3 o - o 1 3 o o o 1 3 o o + 2 3 - o o 2 3 o o o 2 3 o o + 
SrSc2Bi crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a 12-coordinate geometry to eight equivalent Sc(1) and four equivalent Bi(1) atoms. There are a spread of Sr(1)-Sc(1) bond distances ranging from 2.94-3.93 Å. There are a spread of Sr(1)-Bi(1) bond distances ranging from 2.81-4.01 Å. Sc(1) is bonded in a 7-coordinate geometry to four equivalent Sr(1), one Sc(1), and three equivalent Bi(1) atoms. The Sc(1)-Sc(1) bond length is 2.81 Å. There are a spread of Sc(1)-Bi(1) bond distances ranging from 2.94-3.57 Å. Bi(1) is bonded in a 10-coordinate geometry to four equivalent Sr(1) and six equivalent Sc(1) atoms.