data_ScBiPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBiPt3
_chemical_formula_sum   'Sc1 Bi1 Pt3'
_cell_volume   115.29
_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  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.43  0.43  0.43  1.0
  Pt  Pt2  1  0.0  0.43  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.43  1.0
  Pt  Pt4  1  0.43  0.0  0.0  1.0

data_ScBiPt3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ScBiPt3
_chemical_formula_sum   'Sc3 Bi3 Pt9'
_cell_volume   345.88
_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  0.0  1.0
  Bi  Bi1  3  0.0  0.0  0.43  1.0
  Pt  Pt2  9  0.19  0.38  0.81  1.0

Sc Bi Pt Pt Pt
ScPt3Bi is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Sc(1) is bonded to six equivalent Pt(1) atoms to form corner-sharing ScPt6 octahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.11 Å) and three longer (2.76 Å) Sc(1)-Pt(1) bond lengths. Pt(1) is bonded in a 1-coordinate geometry to two equivalent Sc(1) and three equivalent Bi(1) atoms. There is one shorter (2.98 Å) and two longer (3.47 Å) Pt(1)-Bi(1) bond lengths. Bi(1) is bonded in a 9-coordinate geometry to nine equivalent Pt(1) atoms.