data_YFeTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFeTc
_chemical_formula_sum   'Y1 Fe1 Tc1'
_cell_volume   64.03
_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  0.59  0.59  0.59  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.18  0.18  0.18  1.0

data_YFeTc
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   11.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YFeTc
_chemical_formula_sum   'Y3 Fe3 Tc3'
_cell_volume   192.08
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.41  1.0
  Fe  Fe1  3  0.0  0.0  -0.0  1.0
  Tc  Tc2  3  0.0  0.0  0.82  1.0

Y Fe Tc
Y Fe Tc 0 2 o o + 0 2 o + o 0 2 + o o 0 1 o + + 0 1 + o + 0 1 + + o 1 2 o o o 
YTcFe crystallizes in the trigonal R3m space group. Y(1) is bonded in a 6-coordinate geometry to three equivalent Tc(1) and three equivalent Fe(1) atoms. All Y(1)-Tc(1) bond lengths are 2.73 Å. All Y(1)-Fe(1) bond lengths are 2.73 Å. Tc(1) is bonded to three equivalent Y(1) and one Fe(1) atom to form distorted TcY3Fe tetrahedra that share corners with three equivalent Fe(1)Y3Tc tetrahedra, corners with six equivalent Tc(1)Y3Fe tetrahedra, and edges with three equivalent Fe(1)Y3Tc tetrahedra. The Tc(1)-Fe(1) bond length is 1.93 Å. Fe(1) is bonded to three equivalent Y(1) and one Tc(1) atom to form distorted FeY3Tc tetrahedra that share corners with three equivalent Tc(1)Y3Fe tetrahedra, corners with six equivalent Fe(1)Y3Tc tetrahedra, and edges with three equivalent Tc(1)Y3Fe tetrahedra.