data_Ta2FeCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.57
_cell_angle_alpha   103.9
_cell_angle_beta   103.9
_cell_angle_gamma   35.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2FeCu
_chemical_formula_sum   'Ta2 Fe1 Cu1'
_cell_volume   59.75
_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  0.07  0.0  0.14  1.0
  Ta  Ta3  1  0.4  0.0  0.15  1.0
  Fe  Fe1  1  0.64  0.0  0.11  1.0
  Cu  Cu0  1  0.88  0.0  0.24  1.0

data_Ta2FeCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.57
_cell_length_c   4.81
_cell_angle_alpha   103.9
_cell_angle_beta   107.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2FeCu
_chemical_formula_sum   'Ta2 Fe1 Cu1'
_cell_volume   59.75
_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  0.14  0.07  1.0
  Ta  Ta1  1  0.0  0.15  0.4  1.0
  Fe  Fe2  1  0.0  0.11  0.64  1.0
  Cu  Cu3  1  0.0  0.24  0.88  1.0

Ta Ta Fe Cu
Ta2FeCu crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ta2FeCu cluster. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to one Cu(1) atom. The Ta(1)-Cu(1) bond length is 1.09 Å. In the second Ta site, Ta(2) is bonded in a distorted single-bond geometry to one Fe(1) atom. The Ta(2)-Fe(1) bond length is 1.22 Å. Fe(1) is bonded in a bent 150 degrees geometry to one Ta(2) and one Cu(1) atom. The Fe(1)-Cu(1) bond length is 1.17 Å. Cu(1) is bonded in a bent 120 degrees geometry to one Ta(1) and one Fe(1) atom.