data_ScMn2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMn2Pb
_chemical_formula_sum   'Sc1 Mn2 Pb1'
_cell_volume   75.04
_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  Sc3  1  0.0  0.0  0.0  1.0
  Mn  Mn0  1  0.67  0.67  0.67  1.0
  Mn  Mn1  1  0.35  0.35  0.35  1.0
  Pb  Pb2  1  0.02  0.02  0.02  1.0

data_ScMn2Pb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   11.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ScMn2Pb
_chemical_formula_sum   'Sc3 Mn6 Pb3'
_cell_volume   225.12
_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
  Mn  Mn1  3  0.0  0.0  0.33  1.0
  Mn  Mn2  3  0.0  0.0  0.65  1.0
  Pb  Pb3  3  0.0  0.0  0.98  1.0

Sc Mn Mn Pb
ScMn2Pb crystallizes in the trigonal R3m space group. Sc(1) is bonded in a single-bond geometry to three equivalent Mn(2), four equivalent Mn(1), and one Pb(1) atom. All Sc(1)-Mn(2) bond lengths are 2.74 Å. There are three shorter (2.73 Å) and one longer (3.78 Å) Sc(1)-Mn(1) bond length. The Sc(1)-Pb(1) bond length is 0.25 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 10-coordinate geometry to four equivalent Sc(1), three equivalent Mn(2), and three equivalent Pb(1) atoms. All Mn(1)-Mn(2) bond lengths are 2.73 Å. All Mn(1)-Pb(1) bond lengths are 2.74 Å. In the second Mn site, Mn(2) is bonded in a 9-coordinate geometry to three equivalent Sc(1), three equivalent Mn(1), and three equivalent Pb(1) atoms. All Mn(2)-Pb(1) bond lengths are 2.73 Å. Pb(1) is bonded in a single-bond geometry to one Sc(1), three equivalent Mn(1), and three equivalent Mn(2) atoms.