data_BaCaRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCaRh
_chemical_formula_sum   'Ba1 Ca1 Rh1'
_cell_volume   92.81
_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
  Ba  Ba0  1  0.8  0.8  0.8  1.0
  Ca  Ca1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.39  0.39  0.39  1.0

data_BaCaRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   12.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaCaRh
_chemical_formula_sum   'Ba3 Ca3 Rh3'
_cell_volume   278.42
_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
  Ba  Ba0  3  0.0  0.0  0.2  1.0
  Ca  Ca1  3  0.0  0.0  0.0  1.0
  Rh  Rh2  3  0.0  0.0  0.61  1.0

Ba Ca Rh
BaCaRh crystallizes in the trigonal R3m space group. Ba(1) is bonded to one Ca(1) and three equivalent Rh(1) atoms to form distorted BaCaRh3 tetrahedra that share corners with three equivalent Ca(1)BaRh3 tetrahedra, corners with six equivalent Ba(1)CaRh3 tetrahedra, and edges with three equivalent Ca(1)BaRh3 tetrahedra. The Ba(1)-Ca(1) bond length is 2.53 Å. All Ba(1)-Rh(1) bond lengths are 3.07 Å. Ca(1) is bonded to one Ba(1) and three equivalent Rh(1) atoms to form distorted CaBaRh3 tetrahedra that share corners with three equivalent Ba(1)CaRh3 tetrahedra, corners with six equivalent Ca(1)BaRh3 tetrahedra, and edges with three equivalent Ba(1)CaRh3 tetrahedra. All Ca(1)-Rh(1) bond lengths are 3.02 Å. Rh(1) is bonded in a distorted hexagonal planar geometry to three equivalent Ba(1) and three equivalent Ca(1) atoms.