data_TaFeCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   3.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaFeCu2
_chemical_formula_sum   'Ta1 Fe1 Cu2'
_cell_volume   51.51
_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  0.83  0.83  0.0  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.83  0.0  0.93  1.0
  Cu  Cu1  1  0.0  0.83  0.93  1.0

data_TaFeCu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   3.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaFeCu2
_chemical_formula_sum   'Ta2 Fe2 Cu4'
_cell_volume   103.03
_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  2  0.33  0.5  -0.0  1.0
  Fe  Fe1  2  0.0  0.0  0.0  1.0
  Cu  Cu2  4  0.41  0.41  0.93  1.0

Ta Fe Cu Cu
TaFeCu2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TaFeCu2 clusters. Ta(1) is bonded in a distorted L-shaped geometry to two equivalent Cu(1) atoms. Both Ta(1)-Cu(1) bond lengths are 0.69 Å. Fe(1) is bonded in a distorted L-shaped geometry to two equivalent Cu(1) atoms. Both Fe(1)-Cu(1) bond lengths are 0.69 Å. Cu(1) is bonded in a distorted L-shaped geometry to one Ta(1) and one Fe(1) atom.