data_YCoTcIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCoTcIr
_chemical_formula_sum   'Y1 Co1 Tc1 Ir1'
_cell_volume   66.05
_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  Y3  1  0.21  0.21  0.21  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.6  0.6  0.6  1.0
  Ir  Ir1  1  0.81  0.81  0.81  1.0

data_YCoTcIr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   11.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YCoTcIr
_chemical_formula_sum   'Y3 Co3 Tc3 Ir3'
_cell_volume   198.14
_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  0.79  1.0
  Co  Co1  3  0.0  0.0  0.0  1.0
  Tc  Tc2  3  0.0  0.0  0.4  1.0
  Ir  Ir3  3  0.0  0.0  0.19  1.0

Y Co Tc Ir
Y Co Tc Ir 0 1 o o o 0 1 o o + 0 1 + o o 0 1 o + o 0 3 - - o 0 3 - o - 0 3 o - - 0 2 - o o 0 2 o - o 0 2 o o - 1 3 - - - 1 2 o - - 1 2 - o - 1 2 - - o 2 3 o - o 2 3 - o o 2 3 o o - 2 3 o o o 
YTcIrCo crystallizes in the trigonal R3m space group. Y(1) is bonded in a 10-coordinate geometry to three equivalent Tc(1), three equivalent Ir(1), and four equivalent Co(1) atoms. All Y(1)-Tc(1) bond lengths are 2.71 Å. All Y(1)-Ir(1) bond lengths are 2.71 Å. There is one shorter (2.31 Å) and three longer (2.97 Å) Y(1)-Co(1) bond lengths. Tc(1) is bonded in a 4-coordinate geometry to three equivalent Y(1) and one Ir(1) atom. The Tc(1)-Ir(1) bond length is 2.31 Å. Ir(1) is bonded in a 5-coordinate geometry to three equivalent Y(1), one Tc(1), and one Co(1) atom. The Ir(1)-Co(1) bond length is 2.08 Å. Co(1) is bonded in a linear geometry to four equivalent Y(1) and one Ir(1) atom.