data_HfMn2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn2Pb
_chemical_formula_sum   'Hf1 Mn2 Pb1'
_cell_volume   73.73
_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
  Hf  Hf0  1  0.0  0.0  0.93  1.0
  Mn  Mn1  1  0.57  0.57  0.27  1.0
  Mn  Mn2  1  0.0  0.0  0.46  1.0
  Pb  Pb3  1  0.57  0.57  0.51  1.0

data_HfMn2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMn2Pb
_chemical_formula_sum   'Hf2 Mn4 Pb2'
_cell_volume   147.46
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Hf  Hf0  2  0.0  0.0  0.93  1.0
  Mn  Mn1  2  0.0  0.0  0.46  1.0
  Mn  Mn2  2  0.07  0.5  0.27  1.0
  Pb  Pb3  2  0.07  0.5  0.51  1.0

Hf Mn Mn Pb
HfMn2Pb crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a 12-coordinate geometry to four equivalent Hf(1), one Mn(2), four equivalent Mn(1), and three equivalent Pb(1) atoms. All Hf(1)-Hf(1) bond lengths are 3.15 Å. The Hf(1)-Mn(2) bond length is 3.45 Å. There are a spread of Hf(1)-Mn(1) bond distances ranging from 3.17-3.60 Å. There is one shorter (3.63 Å) and two longer (3.82 Å) Hf(1)-Pb(1) bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to four equivalent Hf(1) and one Pb(1) atom. The Mn(1)-Pb(1) bond length is 1.82 Å. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to one Hf(1) and four equivalent Pb(1) atoms. There are a spread of Mn(2)-Pb(1) bond distances ranging from 1.93-2.58 Å. Pb(1) is bonded in a 5-coordinate geometry to three equivalent Hf(1), one Mn(1), and four equivalent Mn(2) atoms.