data_MgMo2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   119.03
_cell_angle_beta   119.03
_cell_angle_gamma   91.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMo2Pb
_chemical_formula_sum   'Mg1 Mo2 Pb1'
_cell_volume   72.21
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.36  0.0  0.62  1.0
  Mo  Mo2  1  0.0  0.0  0.24  1.0
  Pb  Pb3  1  0.0  0.36  0.62  1.0

data_MgMo2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   91.7
_cell_angle_beta   119.03
_cell_angle_gamma   119.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMo2Pb
_chemical_formula_sum   'Mg1 Mo2 Pb1'
_cell_volume   72.21
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.24  0.0  0.0  1.0
  Mo  Mo2  1  0.62  0.36  0.0  1.0
  Pb  Pb3  1  0.62  0.0  0.36  1.0

Mg Mo Mo Pb
Mg Mo Mo Pb 0 2 o o o 1 2 o o o 2 3 o o o 
MgMo2Pb crystallizes in the triclinic P1 space group. Mg(1) is bonded in a single-bond geometry to one Mo(2), two equivalent Mo(1), and one Pb(1) atom. The Mg(1)-Mo(2) bond length is 1.12 Å. There is one shorter (2.62 Å) and one longer (2.97 Å) Mg(1)-Mo(1) bond length. The Mg(1)-Pb(1) bond length is 2.62 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one Mo(2) atom. The Mo(1)-Mo(2) bond length is 1.75 Å. In the second Mo site, Mo(2) is bonded in a distorted single-bond geometry to one Mg(1), one Mo(1), and one Pb(1) atom. The Mo(2)-Pb(1) bond length is 1.75 Å. Pb(1) is bonded in a 2-coordinate geometry to one Mg(1) and one Mo(2) atom.