data_KCaRhPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCaRhPb
_chemical_formula_sum   'K1 Ca1 Rh1 Pb1'
_cell_volume   99.85
_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
  Ca  Ca0  1  0.84  0.84  0.84  1.0
  Rh  Rh3  1  0.68  0.68  0.68  1.0
  Pb  Pb2  1  0.52  0.52  0.52  1.0

data_KCaRhPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KCaRhPb
_chemical_formula_sum   'K3 Ca3 Rh3 Pb3'
_cell_volume   299.54
_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
  Ca  Ca1  3  0.0  0.0  0.16  1.0
  Rh  Rh2  3  0.0  0.0  0.32  1.0
  Pb  Pb3  3  0.0  0.0  0.48  1.0

K Ca Rh Pb
K Ca Rh Pb 0 1 - - - 1 2 o o o 2 3 o o o 
KCaRhPb crystallizes in the trigonal R3m space group. K(1) is bonded to one Ca(1) and three equivalent Rh(1) atoms to form distorted KCaRh3 trigonal pyramids that share corners with three equivalent Ca(1)KRhPb3 trigonal bipyramids, corners with six equivalent K(1)CaRh3 trigonal pyramids, and edges with three equivalent Pb(1)Ca3Rh trigonal pyramids. The K(1)-Ca(1) bond length is 2.03 Å. All K(1)-Rh(1) bond lengths are 3.01 Å. Ca(1) is bonded to one K(1), one Rh(1), and three equivalent Pb(1) atoms to form distorted CaKRhPb3 trigonal bipyramids that share corners with six equivalent Ca(1)KRhPb3 trigonal bipyramids,  a cornercorner with one Pb(1)Ca3Rh trigonal pyramid, and corners with three equivalent K(1)CaRh3 trigonal pyramids. The Ca(1)-Rh(1) bond length is 2.03 Å. All Ca(1)-Pb(1) bond lengths are 3.01 Å. Rh(1) is bonded in a distorted single-bond geometry to three equivalent K(1), one Ca(1), and one Pb(1) atom. The Rh(1)-Pb(1) bond length is 2.03 Å. Pb(1) is bonded to three equivalent Ca(1) and one Rh(1) atom to form distorted PbCa3Rh trigonal pyramids that share  a cornercorner with one Ca(1)KRhPb3 trigonal bipyramid, corners with six equivalent Pb(1)Ca3Rh trigonal pyramids, and edges with three equivalent K(1)CaRh3 trigonal pyramids.