data_Sc3MnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3MnPb
_chemical_formula_sum   'Sc3 Mn1 Pb1'
_cell_volume   114.43
_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  0.43  0.0  1.0
  Sc  Sc2  1  0.0  0.0  0.43  1.0
  Sc  Sc3  1  0.43  0.0  0.0  1.0
  Mn  Mn4  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.43  0.43  0.43  1.0

data_Sc3MnPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.87
_cell_length_b   6.87
_cell_length_c   8.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sc3MnPb
_chemical_formula_sum   'Sc9 Mn3 Pb3'
_cell_volume   343.3
_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  9  0.19  0.38  0.81  1.0
  Mn  Mn1  3  0.0  0.0  0.0  1.0
  Pb  Pb2  3  0.0  0.0  0.43  1.0

Sc Sc Sc Mn Pb
Sc Sc Sc Mn Pb 0 3 o o o 0 4 o o o 0 4 o o - 0 4 - o o 1 3 o o o 1 4 o o o 1 4 o - o 1 4 - o o 2 3 o o o 2 4 o o o 2 4 o o - 2 4 o - o 3 4 o o o 
Sc3MnPb crystallizes in the trigonal R3m space group. Sc(1) is bonded in a 5-coordinate geometry to two equivalent Mn(1) and three equivalent Pb(1) atoms. There is one shorter (2.08 Å) and one longer (2.78 Å) Sc(1)-Mn(1) bond length. There is one shorter (2.94 Å) and two longer (3.47 Å) Sc(1)-Pb(1) bond lengths. Mn(1) is bonded to six equivalent Sc(1) atoms to form corner-sharing MnSc6 octahedra. The corner-sharing octahedra are not tilted. Pb(1) is bonded in a 9-coordinate geometry to nine equivalent Sc(1) atoms.