data_Sr2ScBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ScBi
_chemical_formula_sum   'Sr2 Sc1 Bi1'
_cell_volume   135.76
_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  Sr2  1  0.0  0.61  0.49  1.0
  Sr  Sr3  1  0.61  0.0  0.49  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.61  0.61  0.0  1.0

data_Sr2ScBi
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   4.99
_cell_length_b   7.38
_cell_length_c   7.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   Sr2ScBi
_chemical_formula_sum   'Sr4 Sc2 Bi2'
_cell_volume   271.52
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  4  0.5  0.2  0.8  1.0
  Sc  Sc1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.0  0.0  0.61  1.0

Sr Sr Sc Bi
Sr Sr Sc Bi 0 3 - o o 0 3 - o + 0 1 - + o 0 2 o + o 0 2 o + + 1 3 o - o 1 3 o - + 1 2 + o o 1 2 + o + 2 3 - - o 
Sr2ScBi crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a 4-coordinate geometry to four equivalent Sc(1) and four equivalent Bi(1) atoms. There are a spread of Sr(1)-Sc(1) bond distances ranging from 3.20-4.06 Å. There are a spread of Sr(1)-Bi(1) bond distances ranging from 3.20-4.06 Å. Sc(1) is bonded in a 11-coordinate geometry to eight equivalent Sr(1) and three equivalent Bi(1) atoms. There is one shorter (2.89 Å) and two longer (3.78 Å) Sc(1)-Bi(1) bond lengths. Bi(1) is bonded in a 11-coordinate geometry to eight equivalent Sr(1) and three equivalent Sc(1) atoms.