data_Y2TcB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TcB
_chemical_formula_sum   'Y2 Tc1 B1'
_cell_volume   70.8
_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  0.28  0.28  0.28  1.0
  Y  Y3  1  0.93  0.93  0.93  1.0
  Tc  Tc1  1  0.64  0.64  0.64  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Y2TcB
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   11.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y2TcB
_chemical_formula_sum   'Y6 Tc3 B3'
_cell_volume   212.4
_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  0.07  1.0
  Y  Y1  3  0.0  0.0  0.72  1.0
  Tc  Tc2  3  0.0  0.0  0.36  1.0
  B  B3  3  0.0  0.0  -0.0  1.0

Y Y Tc B
Y2TcB crystallizes in the trigonal R3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to three equivalent Tc(1) and four equivalent B(1) atoms. All Y(1)-Tc(1) bond lengths are 2.70 Å. There are three shorter (2.74 Å) and one longer (3.22 Å) Y(1)-B(1) bond length. In the second Y site, Y(2) is bonded in a single-bond geometry to four equivalent Tc(1) and one B(1) atom. There are three shorter (2.74 Å) and one longer (3.22 Å) Y(2)-Tc(1) bond length. The Y(2)-B(1) bond length is 0.85 Å. Tc(1) is bonded in a 10-coordinate geometry to three equivalent Y(1), four equivalent Y(2), and three equivalent B(1) atoms. All Tc(1)-B(1) bond lengths are 2.70 Å. B(1) is bonded in a single-bond geometry to one Y(2), four equivalent Y(1), and three equivalent Tc(1) atoms.