data_MnIr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIr2Pb
_chemical_formula_sum   'Mn1 Ir2 Pb1'
_cell_volume   66.8
_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  0.0  0.0  1.0
  Ir  Ir0  1  0.83  0.83  0.83  1.0
  Ir  Ir1  1  0.61  0.61  0.61  1.0
  Pb  Pb3  1  0.22  0.22  0.22  1.0

data_MnIr2Pb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   11.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MnIr2Pb
_chemical_formula_sum   'Mn3 Ir6 Pb3'
_cell_volume   200.4
_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
  Ir  Ir1  3  0.0  0.0  0.17  1.0
  Ir  Ir2  3  0.0  0.0  0.39  1.0
  Pb  Pb3  3  0.0  0.0  0.78  1.0

Mn Ir Ir Pb
Mn Ir Ir Pb 0 1 - - - 0 2 o - - 0 2 - o - 0 2 - - o 0 3 o o o 0 3 o o - 0 3 - o o 0 3 o - o 1 2 o + o 1 2 + o o 1 2 o o + 1 2 o o o 1 3 + + o 1 3 + o + 1 3 o + + 2 3 o o + 2 3 o + o 2 3 + o o 
MnIr2Pb crystallizes in the trigonal R3m space group. Mn(1) is bonded in a 1-coordinate geometry to one Ir(1), three equivalent Ir(2), and four equivalent Pb(1) atoms. The Mn(1)-Ir(1) bond length is 1.89 Å. All Mn(1)-Ir(2) bond lengths are 2.70 Å. There is one shorter (2.46 Å) and three longer (2.92 Å) Mn(1)-Pb(1) bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a single-bond geometry to one Mn(1), one Ir(2), and three equivalent Pb(1) atoms. The Ir(1)-Ir(2) bond length is 2.46 Å. All Ir(1)-Pb(1) bond lengths are 2.70 Å. In the second Ir site, Ir(2) is bonded in a 7-coordinate geometry to three equivalent Mn(1), one Ir(1), and three equivalent Pb(1) atoms. All Ir(2)-Pb(1) bond lengths are 2.70 Å. Pb(1) is bonded in a distorted single-bond geometry to four equivalent Mn(1), three equivalent Ir(1), and three equivalent Ir(2) atoms.