data_MgSnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSnAu
_chemical_formula_sum   'Mg1 Sn1 Au1'
_cell_volume   69.02
_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  Mg1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.26  0.26  0.26  1.0
  Au  Au0  1  0.63  0.63  0.63  1.0

data_MgSnAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   11.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgSnAu
_chemical_formula_sum   'Mg3 Sn3 Au3'
_cell_volume   207.07
_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
  Sn  Sn1  3  0.0  0.0  0.74  1.0
  Au  Au2  3  0.0  0.0  0.37  1.0

Mg Sn Au
Mg Sn Au 0 2 - - o 0 2 - o - 0 2 o - - 0 1 - o o 0 1 o - o 0 1 o o - 0 1 o o o 1 2 - o o 1 2 o - o 1 2 o o - 
MgAuSn crystallizes in the trigonal R3m space group. Mg(1) is bonded to three equivalent Au(1) and four equivalent Sn(1) atoms to form distorted MgSn4Au3 hexagonal pyramids that share corners with three equivalent Sn(1)Mg4Au3 hexagonal pyramids, corners with six equivalent Mg(1)Sn4Au3 hexagonal pyramids, edges with three equivalent Sn(1)Mg4Au3 hexagonal pyramids, and edges with six equivalent Mg(1)Sn4Au3 hexagonal pyramids. All Mg(1)-Au(1) bond lengths are 2.69 Å. There are three shorter (2.80 Å) and one longer (2.88 Å) Mg(1)-Sn(1) bond length. Au(1) is bonded in a hexagonal planar geometry to three equivalent Mg(1) and three equivalent Sn(1) atoms. All Au(1)-Sn(1) bond lengths are 2.69 Å. Sn(1) is bonded to four equivalent Mg(1) and three equivalent Au(1) atoms to form distorted SnMg4Au3 hexagonal pyramids that share corners with three equivalent Mg(1)Sn4Au3 hexagonal pyramids, corners with six equivalent Sn(1)Mg4Au3 hexagonal pyramids, edges with three equivalent Mg(1)Sn4Au3 hexagonal pyramids, and edges with six equivalent Sn(1)Mg4Au3 hexagonal pyramids.