data_ScBiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBiPd
_chemical_formula_sum   'Sc1 Bi1 Pd1'
_cell_volume   69.35
_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  0.26  0.26  0.26  1.0
  Pd  Pd2  1  0.63  0.63  0.63  1.0

data_ScBiPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   11.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ScBiPd
_chemical_formula_sum   'Sc3 Bi3 Pd3'
_cell_volume   208.05
_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  0.74  1.0
  Pd  Pd2  3  0.0  0.0  0.37  1.0

Sc Bi Pd
Sc Bi Pd 0 2 - - o 0 2 - o - 0 2 o - - 0 1 - o o 0 1 o - o 0 1 o o - 0 1 o o o 1 2 - o o 1 2 o - o 1 2 o o - 
ScPdBi crystallizes in the trigonal R3m space group. Sc(1) is bonded to three equivalent Pd(1) and four equivalent Bi(1) atoms to form distorted ScBi4Pd3 hexagonal pyramids that share corners with three equivalent Bi(1)Sc4Pd3 hexagonal pyramids, corners with six equivalent Sc(1)Bi4Pd3 hexagonal pyramids, edges with three equivalent Bi(1)Sc4Pd3 hexagonal pyramids, and edges with six equivalent Sc(1)Bi4Pd3 hexagonal pyramids. All Sc(1)-Pd(1) bond lengths are 2.69 Å. There are three shorter (2.79 Å) and one longer (2.95 Å) Sc(1)-Bi(1) bond length. Pd(1) is bonded in a hexagonal planar geometry to three equivalent Sc(1) and three equivalent Bi(1) atoms. All Pd(1)-Bi(1) bond lengths are 2.69 Å. Bi(1) is bonded to four equivalent Sc(1) and three equivalent Pd(1) atoms to form distorted BiSc4Pd3 hexagonal pyramids that share corners with three equivalent Sc(1)Bi4Pd3 hexagonal pyramids, corners with six equivalent Bi(1)Sc4Pd3 hexagonal pyramids, edges with three equivalent Sc(1)Bi4Pd3 hexagonal pyramids, and edges with six equivalent Bi(1)Sc4Pd3 hexagonal pyramids.