data_HfMg2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg2Pb
_chemical_formula_sum   'Hf1 Mg2 Pb1'
_cell_volume   95.6
_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  0.0  1.0
  Mg  Mg1  1  0.64  0.64  0.12  1.0
  Mg  Mg2  1  0.64  0.64  0.79  1.0
  Pb  Pb3  1  0.0  0.0  0.46  1.0

data_HfMg2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMg2Pb
_chemical_formula_sum   'Hf2 Mg4 Pb2'
_cell_volume   191.21
_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  0.0  1.0
  Mg  Mg1  2  0.14  0.5  0.12  1.0
  Mg  Mg2  2  0.14  0.5  0.79  1.0
  Pb  Pb3  2  0.0  0.0  0.46  1.0

Hf Mg Mg Pb
Mg2HfPb crystallizes in the monoclinic Cm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 1-coordinate geometry to one Hf(1) and one Pb(1) atom. The Mg(1)-Hf(1) bond length is 2.00 Å. The Mg(1)-Pb(1) bond length is 3.42 Å. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to one Hf(1) and one Pb(1) atom. The Mg(2)-Hf(1) bond length is 2.51 Å. The Mg(2)-Pb(1) bond length is 3.42 Å. Hf(1) is bonded in a 1-coordinate geometry to one Mg(1) and one Mg(2) atom. Pb(1) is bonded in a 6-coordinate geometry to one Mg(1), one Mg(2), and four equivalent Pb(1) atoms. All Pb(1)-Pb(1) bond lengths are 3.28 Å.