data_ScTa2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   4.36
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   103.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa2Fe
_chemical_formula_sum   'Sc1 Ta2 Fe1'
_cell_volume   67.68
_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
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.74  0.18  0.4  1.0
  Ta  Ta3  1  0.95  0.18  0.81  1.0
  Fe  Fe0  1  0.85  0.0  0.61  1.0

data_ScTa2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.36
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   103.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa2Fe
_chemical_formula_sum   'Sc1 Ta2 Fe1'
_cell_volume   67.68
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.74  0.18  0.4  1.0
  Ta  Ta2  1  0.95  0.18  0.81  1.0
  Fe  Fe3  1  0.85  0.0  0.61  1.0

Sc Ta Ta Fe
ScTa2Fe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ScTa2Fe cluster. Sc(1) is bonded in a distorted single-bond geometry to one Ta(2) atom. The Sc(1)-Ta(2) bond length is 1.25 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to one Fe(1) atom. The Ta(1)-Fe(1) bond length is 1.34 Å. In the second Ta site, Ta(2) is bonded in a water-like geometry to one Sc(1) and one Fe(1) atom. The Ta(2)-Fe(1) bond length is 1.34 Å. Fe(1) is bonded in a water-like geometry to one Ta(1) and one Ta(2) atom.