data_Y4SiTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   5.98
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4SiTc
_chemical_formula_sum   'Y4 Si1 Tc1'
_cell_volume   151.29
_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  0.18  0.18  0.28  1.0
  Y  Y3  1  0.18  0.28  0.18  1.0
  Y  Y4  1  0.28  0.18  0.18  1.0
  Y  Y5  1  0.28  0.28  0.28  1.0
  Si  Si0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.11  0.11  0.11  1.0

data_Y4SiTc
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   14.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y4SiTc
_chemical_formula_sum   'Y12 Si3 Tc3'
_cell_volume   453.88
_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  9  0.03  0.07  0.79  1.0
  Y  Y1  3  0.0  0.0  0.72  1.0
  Si  Si2  3  0.0  0.0  0.0  1.0
  Tc  Tc3  3  0.0  0.0  0.89  1.0

Y Y Y Y Si Tc
Y4TcSi crystallizes in the trigonal R3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 2-coordinate geometry to one Y(2), two equivalent Y(1), one Tc(1), and one Si(1) atom. The Y(1)-Y(2) bond length is 1.04 Å. Both Y(1)-Y(1) bond lengths are 0.60 Å. The Y(1)-Tc(1) bond length is 1.48 Å. The Y(1)-Si(1) bond length is 3.58 Å. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to three equivalent Y(1) and three equivalent Si(1) atoms. All Y(2)-Si(1) bond lengths are 3.54 Å. Tc(1) is bonded in a rectangular see-saw-like geometry to three equivalent Y(1) and one Si(1) atom. The Tc(1)-Si(1) bond length is 1.68 Å. Si(1) is bonded in a 7-coordinate geometry to three equivalent Y(1), three equivalent Y(2), and one Tc(1) atom.