data_KScMnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KScMnPb
_chemical_formula_sum   'K1 Sc1 Mn1 Pb1'
_cell_volume   99.15
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Sc  Sc3  1  0.51  0.51  0.51  1.0
  Mn  Mn1  1  0.67  0.67  0.67  1.0
  Pb  Pb2  1  0.84  0.84  0.84  1.0

data_KScMnPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KScMnPb
_chemical_formula_sum   'K3 Sc3 Mn3 Pb3'
_cell_volume   297.45
_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
  K  K0  3  0.0  0.0  0.0  1.0
  Sc  Sc1  3  0.0  0.0  0.49  1.0
  Mn  Mn2  3  0.0  0.0  0.33  1.0
  Pb  Pb3  3  0.0  0.0  0.16  1.0

K Sc Mn Pb
KScMnPb crystallizes in the trigonal R3m space group. K(1) is bonded in a distorted single-bond geometry to three equivalent Mn(1) and one Pb(1) atom. All K(1)-Mn(1) bond lengths are 3.00 Å. The K(1)-Pb(1) bond length is 2.08 Å. Sc(1) is bonded to one Mn(1) and three equivalent Pb(1) atoms to form distorted ScMnPb3 trigonal pyramids that share corners with three equivalent Mn(1)K3ScPb trigonal bipyramids and corners with six equivalent Sc(1)MnPb3 trigonal pyramids. The Sc(1)-Mn(1) bond length is 2.08 Å. All Sc(1)-Pb(1) bond lengths are 3.00 Å. Mn(1) is bonded to three equivalent K(1), one Sc(1), and one Pb(1) atom to form distorted MnK3ScPb trigonal bipyramids that share corners with six equivalent Mn(1)K3ScPb trigonal bipyramids and corners with three equivalent Sc(1)MnPb3 trigonal pyramids. The Mn(1)-Pb(1) bond length is 2.08 Å. Pb(1) is bonded in a distorted linear geometry to one K(1), three equivalent Sc(1), and one Mn(1) atom.