data_MnAsPb2
_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   MnAsPb2
_chemical_formula_sum   'Mn1 As1 Pb2'
_cell_volume   99.39
_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  Mn1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.84  0.84  0.84  1.0
  Pb  Pb2  1  0.51  0.51  0.51  1.0
  Pb  Pb3  1  0.68  0.68  0.68  1.0

data_MnAsPb2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MnAsPb2
_chemical_formula_sum   'Mn3 As3 Pb6'
_cell_volume   298.17
_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  3  0.0  0.0  0.0  1.0
  As  As1  3  0.0  0.0  0.16  1.0
  Pb  Pb2  3  0.0  0.0  0.32  1.0
  Pb  Pb3  3  0.0  0.0  0.49  1.0

Mn As Pb Pb
MnPb2As crystallizes in the trigonal R3m space group. Mn(1) is bonded to three equivalent Pb(2) and one As(1) atom to form distorted MnAsPb3 trigonal pyramids that share  a cornercorner with one Pb(2)Mn3AsPb trigonal bipyramid, corners with six equivalent Mn(1)AsPb3 trigonal pyramids, and edges with three equivalent Pb(1)As3Pb trigonal pyramids. All Mn(1)-Pb(2) bond lengths are 3.00 Å. The Mn(1)-As(1) bond length is 2.06 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one Pb(2) and three equivalent As(1) atoms to form PbAs3Pb trigonal pyramids that share corners with three equivalent Pb(2)Mn3AsPb trigonal bipyramids, corners with six equivalent Pb(1)As3Pb trigonal pyramids, and edges with three equivalent Mn(1)AsPb3 trigonal pyramids. The Pb(1)-Pb(2) bond length is 2.06 Å. All Pb(1)-As(1) bond lengths are 3.00 Å. In the second Pb site, Pb(2) is bonded to three equivalent Mn(1), one Pb(1), and one As(1) atom to form PbMn3AsPb trigonal bipyramids that share corners with six equivalent Pb(2)Mn3AsPb trigonal bipyramids,  a cornercorner with one Mn(1)AsPb3 trigonal pyramid, and corners with three equivalent Pb(1)As3Pb trigonal pyramids. The Pb(2)-As(1) bond length is 2.06 Å. As(1) is bonded in a distorted linear geometry to one Mn(1), one Pb(2), and three equivalent Pb(1) atoms.