data_TaSiNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   4.62
_cell_angle_alpha   100.29
_cell_angle_beta   100.29
_cell_angle_gamma   36.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSiNi2
_chemical_formula_sum   'Ta1 Si1 Ni2'
_cell_volume   52.67
_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  Ta3  1  0.75  0.0  0.27  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.99  0.0  0.07  1.0
  Ni  Ni1  1  0.52  0.0  0.46  1.0

data_TaSiNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.41
_cell_length_c   4.62
_cell_angle_alpha   100.29
_cell_angle_beta   90.0
_cell_angle_gamma   108.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSiNi2
_chemical_formula_sum   'Ta1 Si1 Ni2'
_cell_volume   52.67
_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  0.0  0.25  0.73  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.01  0.93  1.0
  Ni  Ni3  1  0.0  0.48  0.54  1.0

Ta Si Ni Ni
TaNi2Si crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TaNi2Si cluster. Ta(1) is bonded in a linear geometry to one Ni(1) and one Ni(2) atom. The Ta(1)-Ni(1) bond length is 1.50 Å. The Ta(1)-Ni(2) bond length is 1.50 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a bent 150 degrees geometry to one Ta(1) and one Si(1) atom. The Ni(1)-Si(1) bond length is 0.34 Å. In the second Ni site, Ni(2) is bonded in a single-bond geometry to one Ta(1) atom. Si(1) is bonded in a single-bond geometry to one Ni(1) atom.