The material structure described by PbMn3Mn4O12 crystallizes in the monoclinic C2/m space group. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  a faceface with one Pb(1)O12 cuboctahedra, and  a faceface with one Pb(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 41-42°. In the second Mn site, Mn(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, and faces with two equivalent Pb(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 41°. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, and faces with two equivalent Pb(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 41-42°. In the fourth Mn site, Mn(4) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the fifth Mn site, Mn(5) is bonded in a square co-planar geometry to four equivalent O(4) atoms. In the sixth Mn site, Mn(6) is bonded in a square co-planar geometry to one O(5), one O(6), one O(7), and one O(8) atom. In the seventh Mn site, Mn(7) is bonded in a square co-planar geometry to four equivalent O(3) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to two equivalent O(6), two equivalent O(8), four equivalent O(2), and four equivalent O(3) atoms to form PbO12 cuboctahedra that share faces with four equivalent Mn(1)O6 octahedra and faces with four equivalent Mn(2)O6 octahedra. In the second Pb site, Pb(2) is bonded to two equivalent O(5), two equivalent O(7), four equivalent O(1), and four equivalent O(4) atoms to form PbO12 cuboctahedra that share faces with four equivalent Mn(1)O6 octahedra and faces with four equivalent Mn(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), one Mn(4), and one Pb(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), one Mn(4), and one Pb(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), one Mn(7), and one Pb(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), one Mn(5), and one Pb(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(6), two equivalent Mn(3), and one Pb(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(6), two equivalent Mn(2), and one Pb(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(6), two equivalent Mn(1), and one Pb(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(6), two equivalent Mn(1), and one Pb(1) atom. is represented by the CIF file [CIF]
data_Mn7PbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.515
_cell_length_b   6.515
_cell_length_c   6.572
_cell_angle_alpha   108.813
_cell_angle_beta   109.774
_cell_angle_gamma   109.465
_symmetry_Int_Tables_number   1
_cell_volume   215.648
_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  Mn0  1  0.000  0.500  1.000  1.0
  Mn  Mn1  1  1.000  0.000  0.500  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.500  1.000  0.000  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.500  0.500  0.000  1.0
  Mn  Mn6  1  1.000  0.500  0.500  1.0
  O  O7  1  0.867  0.174  0.677  1.0
  O  O8  1  0.133  0.826  0.323  1.0
  O  O9  1  0.503  0.810  0.677  1.0
  O  O10  1  0.497  0.190  0.323  1.0
  O  O11  1  0.688  0.506  0.821  1.0
  O  O12  1  0.312  0.494  0.179  1.0
  O  O13  1  0.685  0.867  0.179  1.0
  O  O14  1  0.315  0.133  0.821  1.0
  O  O15  1  0.182  0.315  0.497  1.0
  O  O16  1  0.818  0.685  0.503  1.0
  O  O17  1  0.819  0.315  0.134  1.0
  O  O18  1  0.181  0.685  0.866  1.0
  Pb  Pb19  1  1.000  0.000  1.000  1.0
[/CIF]
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The material structure described by PbMn3Mn4O12 crystallizes in the monoclinic C2/m space group. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  a faceface with one Pb(1)O12 cuboctahedra, and  a faceface with one Pb(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 41-42°. In the second Mn site, Mn(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, and faces with two equivalent Pb(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 41°. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, and faces with two equivalent Pb(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 41-42°. In the fourth Mn site, Mn(4) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the fifth Mn site, Mn(5) is bonded in a square co-planar geometry to four equivalent O(4) atoms. In the sixth Mn site, Mn(6) is bonded in a square co-planar geometry to one O(5), one O(6), one O(7), and one O(8) atom. In the seventh Mn site, Mn(7) is bonded in a square co-planar geometry to four equivalent O(3) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to two equivalent O(6), two equivalent O(8), four equivalent O(2), and four equivalent O(3) atoms to form PbO12 cuboctahedra that share faces with four equivalent Mn(1)O6 octahedra and faces with four equivalent Mn(2)O6 octahedra. In the second Pb site, Pb(2) is bonded to two equivalent O(5), two equivalent O(7), four equivalent O(1), and four equivalent O(4) atoms to form PbO12 cuboctahedra that share faces with four equivalent Mn(1)O6 octahedra and faces with four equivalent Mn(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), one Mn(4), and one Pb(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), one Mn(4), and one Pb(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), one Mn(7), and one Pb(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), one Mn(5), and one Pb(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(6), two equivalent Mn(3), and one Pb(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(6), two equivalent Mn(2), and one Pb(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(6), two equivalent Mn(1), and one Pb(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(6), two equivalent Mn(1), and one Pb(1) atom. is represented by the CIF file [CIF]
data_Mn7PbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.515
_cell_length_b   6.515
_cell_length_c   6.572
_cell_angle_alpha   108.813
_cell_angle_beta   109.774
_cell_angle_gamma   109.465
_symmetry_Int_Tables_number   1
_cell_volume   215.648
_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  Mn0  1  0.000  0.500  1.000  1.0
  Mn  Mn1  1  1.000  0.000  0.500  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.500  1.000  0.000  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.500  0.500  0.000  1.0
  Mn  Mn6  1  1.000  0.500  0.500  1.0
  O  O7  1  0.867  0.174  0.677  1.0
  O  O8  1  0.133  0.826  0.323  1.0
  O  O9  1  0.503  0.810  0.677  1.0
  O  O10  1  0.497  0.190  0.323  1.0
  O  O11  1  0.688  0.506  0.821  1.0
  O  O12  1  0.312  0.494  0.179  1.0
  O  O13  1  0.685  0.867  0.179  1.0
  O  O14  1  0.315  0.133  0.821  1.0
  O  O15  1  0.182  0.315  0.497  1.0
  O  O16  1  0.818  0.685  0.503  1.0
  O  O17  1  0.819  0.315  0.134  1.0
  O  O18  1  0.181  0.685  0.866  1.0
  Pb  Pb19  1  1.000  0.000  1.000  1.0
[/CIF]
.