data_TaInSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   3.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaInSi
_chemical_formula_sum   'Ta1 In1 Si1'
_cell_volume   56.49
_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  0.28  0.31  0.59  1.0
  In  In0  1  1.0  0.63  0.03  1.0
  Si  Si1  1  0.0  0.0  0.52  1.0

data_TaInSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaInSi
_chemical_formula_sum   'Ta1 In1 Si1'
_cell_volume   56.49
_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  Ta0  1  0.59  0.28  0.31  1.0
  In  In1  1  0.03  1.0  0.63  1.0
  Si  Si2  1  0.52  0.0  0.0  1.0

Ta In Si
Ta In Si 0 2 o o o 0 1 - o + 1 2 + + - 1 2 + + o 
TaInSi crystallizes in the triclinic P1 space group. Ta(1) is bonded in a single-bond geometry to four equivalent In(1) and one Si(1) atom. There are a spread of Ta(1)-In(1) bond distances ranging from 2.72-3.36 Å. The Ta(1)-Si(1) bond length is 1.38 Å. In(1) is bonded in a 6-coordinate geometry to four equivalent Ta(1) and two equivalent Si(1) atoms. There is one shorter (2.28 Å) and one longer (2.33 Å) In(1)-Si(1) bond length. Si(1) is bonded in a distorted single-bond geometry to one Ta(1) and two equivalent In(1) atoms.