data_KYFeTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYFeTc
_chemical_formula_sum   'K1 Y1 Fe1 Tc1'
_cell_volume   79.64
_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
  K  K1  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.12  0.12  0.12  1.0
  Fe  Fe0  1  0.71  0.71  0.71  1.0
  Tc  Tc2  1  0.41  0.41  0.41  1.0

data_KYFeTc
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   11.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KYFeTc
_chemical_formula_sum   'K3 Y3 Fe3 Tc3'
_cell_volume   238.92
_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
  K  K0  3  0.0  0.0  0.0  1.0
  Y  Y1  3  0.0  0.0  0.88  1.0
  Fe  Fe2  3  0.0  0.0  0.29  1.0
  Tc  Tc3  3  0.0  0.0  0.59  1.0

K Y Fe Tc
K Y Fe Tc 0 1 o o o 0 2 o - - 0 2 - o - 0 2 - - o 0 3 o o - 0 3 o - o 0 3 - o o 1 2 o - - 1 2 - o - 1 2 - - o 1 3 o o - 1 3 o - o 1 3 - o o 2 3 o o + 2 3 o + o 2 3 + o o 
KYTcFe crystallizes in the trigonal R3m space group. K(1) is bonded in a single-bond geometry to one Y(1), three equivalent Tc(1), and four equivalent Fe(1) atoms. The K(1)-Y(1) bond length is 1.45 Å. All K(1)-Tc(1) bond lengths are 2.95 Å. There are three shorter (2.83 Å) and one longer (3.46 Å) K(1)-Fe(1) bond length. Y(1) is bonded in a single-bond geometry to one K(1), four equivalent Tc(1), and three equivalent Fe(1) atoms. There are three shorter (2.83 Å) and one longer (3.46 Å) Y(1)-Tc(1) bond length. All Y(1)-Fe(1) bond lengths are 2.95 Å. Tc(1) is bonded in a 11-coordinate geometry to three equivalent K(1), four equivalent Y(1), and four equivalent Fe(1) atoms. There are three shorter (2.83 Å) and one longer (3.46 Å) Tc(1)-Fe(1) bond length. Fe(1) is bonded in a 11-coordinate geometry to four equivalent K(1), three equivalent Y(1), and four equivalent Tc(1) atoms.