data_Ta2SiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   2.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SiAu
_chemical_formula_sum   'Ta2 Si1 Au1'
_cell_volume   67.47
_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
  Ta  Ta2  1  0.0  0.44  0.42  1.0
  Ta  Ta3  1  0.44  0.0  0.42  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.44  0.44  0.0  1.0

data_Ta2SiAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   2.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2SiAu
_chemical_formula_sum   'Ta4 Si2 Au2'
_cell_volume   134.94
_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
  Ta  Ta0  4  0.22  0.22  0.42  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Au  Au2  2  0.44  0.0  0.0  1.0

Ta Ta Si Au
Ta Ta Si Au 0 3 - o o 0 3 o o o 0 3 o o + 0 2 o o o 0 2 o o + 0 2 o + o 0 1 o o o 0 0 o o + 1 2 o o o 1 2 o o + 1 2 + o o 1 3 o - o 1 3 o o o 1 3 o o + 1 1 o o + 2 2 o o + 2 3 o o o 3 3 o o + 
Ta2AuSi crystallizes in the monoclinic Cm space group. Ta(1) is bonded in a 10-coordinate geometry to two equivalent Ta(1), four equivalent Au(1), and four equivalent Si(1) atoms. Both Ta(1)-Ta(1) bond lengths are 2.84 Å. There are a spread of Ta(1)-Au(1) bond distances ranging from 2.44-3.20 Å. There are a spread of Ta(1)-Si(1) bond distances ranging from 2.44-3.20 Å. Au(1) is bonded in a 11-coordinate geometry to eight equivalent Ta(1), two equivalent Au(1), and one Si(1) atom. Both Au(1)-Au(1) bond lengths are 2.84 Å. The Au(1)-Si(1) bond length is 3.00 Å. Si(1) is bonded in a 11-coordinate geometry to eight equivalent Ta(1), one Au(1), and two equivalent Si(1) atoms. Both Si(1)-Si(1) bond lengths are 2.84 Å.