data_Mn3TePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3TePb
_chemical_formula_sum   'Mn3 Te1 Pb1'
_cell_volume   122.84
_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
  Mn  Mn2  1  0.0  0.49  0.0  1.0
  Mn  Mn3  1  0.0  0.0  0.49  1.0
  Mn  Mn4  1  0.49  0.0  0.0  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.49  0.49  0.49  1.0

data_Mn3TePb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   8.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Mn3TePb
_chemical_formula_sum   'Mn9 Te3 Pb3'
_cell_volume   368.51
_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
  Mn  Mn0  9  0.17  0.34  0.83  1.0
  Te  Te1  3  0.0  0.0  0.0  1.0
  Pb  Pb2  3  0.0  0.0  0.49  1.0

Mn Mn Mn Te Pb
Mn3PbTe is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Mn(1) is bonded in a distorted linear geometry to four equivalent Pb(1) and two equivalent Te(1) atoms. There are a spread of Mn(1)-Pb(1) bond distances ranging from 3.41-3.62 Å. There is one shorter (2.41 Å) and one longer (2.56 Å) Mn(1)-Te(1) bond length. Pb(1) is bonded to twelve equivalent Mn(1) atoms to form PbMn12 cuboctahedra that share corners with twelve equivalent Pb(1)Mn12 cuboctahedra, faces with six equivalent Pb(1)Mn12 cuboctahedra, and faces with eight equivalent Te(1)Mn6 octahedra. Te(1) is bonded to six equivalent Mn(1) atoms to form TeMn6 octahedra that share corners with six equivalent Te(1)Mn6 octahedra and faces with eight equivalent Pb(1)Mn12 cuboctahedra. The corner-sharing octahedra are not tilted.