data_Y2TaFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.53
_cell_length_b   9.53
_cell_length_c   9.53
_cell_angle_alpha   19.67
_cell_angle_beta   19.67
_cell_angle_gamma   19.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TaFe
_chemical_formula_sum   'Y2 Ta1 Fe1'
_cell_volume   85.79
_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
  Y  Y2  1  0.0  0.0  0.75  1.0
  Y  Y3  1  0.0  0.0  0.28  1.0
  Ta  Ta1  1  0.0  0.0  0.01  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_Y2TaFe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.64
_cell_length_b   3.26
_cell_length_c   9.53
_cell_angle_alpha   90.0
_cell_angle_beta   101.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2TaFe
_chemical_formula_sum   'Y4 Ta2 Fe2'
_cell_volume   171.57
_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
  Y  Y0  2  0.0  0.0  0.72  1.0
  Y  Y1  2  0.0  0.0  0.25  1.0
  Ta  Ta2  2  0.0  0.0  0.99  1.0
  Fe  Fe3  2  0.0  0.0  0.0  1.0

Y Y Ta Fe
Y2TaFe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Y2TaFe clusters. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a single-bond geometry to one Fe(1) atom. The Y(1)-Fe(1) bond length is 2.40 Å. In the second Y site, Y(2) is bonded in a single-bond geometry to one Ta(1) atom. The Y(2)-Ta(1) bond length is 2.52 Å. Ta(1) is bonded in a single-bond geometry to one Y(2) and one Fe(1) atom. The Ta(1)-Fe(1) bond length is 0.13 Å. Fe(1) is bonded in a single-bond geometry to one Y(1) and one Ta(1) atom.