data_KTc4Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTc4Rh
_chemical_formula_sum   'K1 Tc4 Rh1'
_cell_volume   102.71
_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  K0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.79  0.79  0.64  1.0
  Tc  Tc3  1  0.79  0.64  0.79  1.0
  Tc  Tc4  1  0.64  0.79  0.79  1.0
  Tc  Tc5  1  0.64  0.64  0.64  1.0
  Rh  Rh1  1  0.86  0.86  0.86  1.0

data_KTc4Rh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   12.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KTc4Rh
_chemical_formula_sum   'K3 Tc12 Rh3'
_cell_volume   308.13
_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
  Tc  Tc1  9  0.1  0.05  0.26  1.0
  Tc  Tc2  3  0.0  0.0  0.36  1.0
  Rh  Rh3  3  0.0  0.0  0.14  1.0

K Tc Tc Tc Tc Rh
KTc4Rh crystallizes in the trigonal R3m space group. K(1) is bonded in a distorted single-bond geometry to three equivalent Tc(1), three equivalent Tc(2), and one Rh(1) atom. All K(1)-Tc(1) bond lengths are 2.75 Å. All K(1)-Tc(2) bond lengths are 3.05 Å. The K(1)-Rh(1) bond length is 1.82 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 5-coordinate geometry to one K(1), one Tc(2), two equivalent Tc(1), and one Rh(1) atom. The Tc(1)-Tc(2) bond length is 1.37 Å. Both Tc(1)-Tc(1) bond lengths are 0.79 Å. The Tc(1)-Rh(1) bond length is 1.57 Å. In the second Tc site, Tc(2) is bonded in a 9-coordinate geometry to three equivalent K(1), three equivalent Tc(1), and three equivalent Rh(1) atoms. All Tc(2)-Rh(1) bond lengths are 3.39 Å. Rh(1) is bonded in a distorted single-bond geometry to one K(1), three equivalent Tc(1), and three equivalent Tc(2) atoms.