data_BaSn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSn2Au
_chemical_formula_sum   'Ba1 Sn2 Au1'
_cell_volume   117.2
_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
  Ba  Ba1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.41  0.52  1.0
  Sn  Sn3  1  0.41  0.0  0.52  1.0
  Au  Au0  1  0.41  0.41  0.0  1.0

data_BaSn2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.81
_cell_length_b   6.81
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaSn2Au
_chemical_formula_sum   'Ba2 Sn4 Au2'
_cell_volume   234.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  0.0  0.0  0.0  1.0
  Sn  Sn1  4  0.2  0.2  0.52  1.0
  Au  Au2  2  0.41  0.0  0.0  1.0

Ba Sn Sn Au
BaAuSn2 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 12-coordinate geometry to four equivalent Au(1) and eight equivalent Sn(1) atoms. There are a spread of Ba(1)-Au(1) bond distances ranging from 2.79-4.03 Å. There are a spread of Ba(1)-Sn(1) bond distances ranging from 3.11-3.89 Å. Au(1) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Sn(1) atoms. There are two shorter (3.11 Å) and two longer (3.30 Å) Au(1)-Sn(1) bond lengths. Sn(1) is bonded in a 7-coordinate geometry to four equivalent Ba(1), two equivalent Au(1), and one Sn(1) atom. The Sn(1)-Sn(1) bond length is 2.79 Å.