data_MnSnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSnAu
_chemical_formula_sum   'Mn1 Sn1 Au1'
_cell_volume   64.39
_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
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.18  0.18  0.18  1.0
  Au  Au0  1  0.59  0.59  0.59  1.0

data_MnSnAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   11.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MnSnAu
_chemical_formula_sum   'Mn3 Sn3 Au3'
_cell_volume   193.17
_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
  Mn  Mn0  3  0.0  0.0  0.0  1.0
  Sn  Sn1  3  0.0  0.0  0.82  1.0
  Au  Au2  3  0.0  0.0  0.41  1.0

Mn Sn Au
Mn Sn Au 0 1 o o o 0 2 o - - 0 2 - o - 0 2 - - o 1 2 o o - 1 2 o - o 1 2 - o o 
AuMnSn crystallizes in the trigonal R3m space group. Mn(1) is bonded to three equivalent Au(1) and four equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing MnSn4Au3 tetrahedra. All Mn(1)-Au(1) bond lengths are 2.73 Å. There is one shorter (2.00 Å) and three longer (3.09 Å) Mn(1)-Sn(1) bond lengths. Au(1) is bonded in a distorted hexagonal planar geometry to three equivalent Mn(1) and three equivalent Sn(1) atoms. All Au(1)-Sn(1) bond lengths are 2.73 Å. Sn(1) is bonded in a 7-coordinate geometry to four equivalent Mn(1) and three equivalent Au(1) atoms.