data_KBaFeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaFeRh
_chemical_formula_sum   'K1 Ba1 Fe1 Rh1'
_cell_volume   99.65
_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  K2  1  0.0  0.0  0.0  1.0
  Ba  Ba0  1  0.52  0.52  0.52  1.0
  Fe  Fe1  1  0.68  0.68  0.68  1.0
  Rh  Rh3  1  0.84  0.84  0.84  1.0

data_KBaFeRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KBaFeRh
_chemical_formula_sum   'K3 Ba3 Fe3 Rh3'
_cell_volume   298.95
_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
  Ba  Ba1  3  0.0  0.0  0.48  1.0
  Fe  Fe2  3  0.0  0.0  0.32  1.0
  Rh  Rh3  3  0.0  0.0  0.16  1.0

K Ba Fe Rh
KBaFeRh crystallizes in the trigonal R3m space group. K(1) is bonded in a distorted single-bond geometry to three equivalent Fe(1) and one Rh(1) atom. All K(1)-Fe(1) bond lengths are 3.01 Å. The K(1)-Rh(1) bond length is 2.04 Å. Ba(1) is bonded to one Fe(1) and three equivalent Rh(1) atoms to form distorted BaFeRh3 trigonal pyramids that share  a cornercorner with one Rh(1)KBa3Fe trigonal bipyramid, corners with three equivalent Fe(1)K3BaRh trigonal bipyramids, and corners with six equivalent Ba(1)FeRh3 trigonal pyramids. The Ba(1)-Fe(1) bond length is 2.04 Å. All Ba(1)-Rh(1) bond lengths are 3.01 Å. Fe(1) is bonded to three equivalent K(1), one Ba(1), and one Rh(1) atom to form distorted FeK3BaRh trigonal bipyramids that share corners with six equivalent Fe(1)K3BaRh trigonal bipyramids, corners with three equivalent Ba(1)FeRh3 trigonal pyramids, and edges with three equivalent Rh(1)KBa3Fe trigonal bipyramids. The Fe(1)-Rh(1) bond length is 2.04 Å. Rh(1) is bonded to one K(1), three equivalent Ba(1), and one Fe(1) atom to form distorted RhKBa3Fe trigonal bipyramids that share corners with six equivalent Rh(1)KBa3Fe trigonal bipyramids,  a cornercorner with one Ba(1)FeRh3 trigonal pyramid, and edges with three equivalent Fe(1)K3BaRh trigonal bipyramids.