data_MgAgSnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAgSnBi
_chemical_formula_sum   'Mg1 Ag1 Sn1 Bi1'
_cell_volume   99.31
_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  Mg2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.68  0.68  0.68  1.0
  Sn  Sn3  1  0.84  0.84  0.84  1.0
  Bi  Bi1  1  0.51  0.51  0.51  1.0

data_MgAgSnBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgAgSnBi
_chemical_formula_sum   'Mg3 Ag3 Sn3 Bi3'
_cell_volume   297.93
_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
  Ag  Ag1  3  0.0  0.0  0.32  1.0
  Sn  Sn2  3  0.0  0.0  0.16  1.0
  Bi  Bi3  3  0.0  0.0  0.49  1.0

Mg Ag Sn Bi
MgAgSnBi crystallizes in the trigonal R3m space group. Mg(1) is bonded to three equivalent Ag(1) and one Sn(1) atom to form distorted MgAg3Sn trigonal pyramids that share  a cornercorner with one Ag(1)Mg3SnBi trigonal bipyramid, corners with six equivalent Mg(1)Ag3Sn trigonal pyramids, and edges with three equivalent Bi(1)AgSn3 trigonal pyramids. All Mg(1)-Ag(1) bond lengths are 3.00 Å. The Mg(1)-Sn(1) bond length is 2.07 Å. Ag(1) is bonded to three equivalent Mg(1), one Sn(1), and one Bi(1) atom to form AgMg3SnBi trigonal bipyramids that share corners with six equivalent Ag(1)Mg3SnBi trigonal bipyramids,  a cornercorner with one Mg(1)Ag3Sn trigonal pyramid, and corners with three equivalent Bi(1)AgSn3 trigonal pyramids. The Ag(1)-Sn(1) bond length is 2.07 Å. The Ag(1)-Bi(1) bond length is 2.07 Å. Sn(1) is bonded in a 2-coordinate geometry to one Mg(1), one Ag(1), and three equivalent Bi(1) atoms. All Sn(1)-Bi(1) bond lengths are 3.00 Å. Bi(1) is bonded to one Ag(1) and three equivalent Sn(1) atoms to form distorted BiAgSn3 trigonal pyramids that share corners with three equivalent Ag(1)Mg3SnBi trigonal bipyramids, corners with six equivalent Bi(1)AgSn3 trigonal pyramids, and edges with three equivalent Mg(1)Ag3Sn trigonal pyramids.