data_MgNbSnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNbSnPb
_chemical_formula_sum   'Mg1 Nb1 Sn1 Pb1'
_cell_volume   96.77
_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
  Nb  Nb1  1  0.47  0.47  0.47  1.0
  Sn  Sn3  1  0.64  0.64  0.64  1.0
  Pb  Pb2  1  0.82  0.82  0.82  1.0

data_MgNbSnPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   12.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgNbSnPb
_chemical_formula_sum   'Mg3 Nb3 Sn3 Pb3'
_cell_volume   290.31
_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
  Mg  Mg0  3  0.0  0.0  0.0  1.0
  Nb  Nb1  3  0.0  0.0  0.53  1.0
  Sn  Sn2  3  0.0  0.0  0.36  1.0
  Pb  Pb3  3  0.0  0.0  0.18  1.0

Mg Nb Sn Pb
MgNbPbSn crystallizes in the trigonal R3m space group. Mg(1) is bonded in a distorted single-bond geometry to one Pb(1) and three equivalent Sn(1) atoms. The Mg(1)-Pb(1) bond length is 2.25 Å. All Mg(1)-Sn(1) bond lengths are 2.99 Å. Nb(1) is bonded in a 4-coordinate geometry to three equivalent Pb(1) and one Sn(1) atom. All Nb(1)-Pb(1) bond lengths are 2.99 Å. The Nb(1)-Sn(1) bond length is 2.25 Å. Pb(1) is bonded to one Mg(1), three equivalent Nb(1), and one Sn(1) atom to form distorted PbMgNb3Sn trigonal bipyramids that share corners with six equivalent Pb(1)MgNb3Sn trigonal bipyramids and edges with three equivalent Sn(1)Mg3NbPb trigonal bipyramids. The Pb(1)-Sn(1) bond length is 2.25 Å. Sn(1) is bonded to three equivalent Mg(1), one Nb(1), and one Pb(1) atom to form distorted SnMg3NbPb trigonal bipyramids that share corners with six equivalent Sn(1)Mg3NbPb trigonal bipyramids and edges with three equivalent Pb(1)MgNb3Sn trigonal bipyramids.