data_BaNaCdIr
_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   BaNaCdIr
_chemical_formula_sum   'Ba1 Na1 Cd1 Ir1'
_cell_volume   99.98
_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  0.84  0.84  0.84  1.0
  Na  Na3  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.53  0.53  0.53  1.0
  Ir  Ir2  1  0.68  0.68  0.68  1.0

data_BaNaCdIr
_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   BaNaCdIr
_chemical_formula_sum   'Ba3 Na3 Cd3 Ir3'
_cell_volume   299.95
_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
  Ba  Ba0  3  0.0  0.0  0.16  1.0
  Na  Na1  3  0.0  0.0  1.0  1.0
  Cd  Cd2  3  0.0  0.0  0.47  1.0
  Ir  Ir3  3  0.0  0.0  0.32  1.0

Ba Na Cd Ir
NaBaIrCd crystallizes in the trigonal R3m space group. Na(1) is bonded to one Ba(1) and three equivalent Ir(1) atoms to form NaBaIr3 trigonal pyramids that share  a cornercorner with one Ir(1)BaNa3Cd trigonal bipyramid, corners with six equivalent Na(1)BaIr3 trigonal pyramids, and edges with three equivalent Cd(1)Ba3Ir trigonal pyramids. The Na(1)-Ba(1) bond length is 2.02 Å. All Na(1)-Ir(1) bond lengths are 3.02 Å. Ba(1) is bonded in a distorted single-bond geometry to one Na(1), one Ir(1), and three equivalent Cd(1) atoms. The Ba(1)-Ir(1) bond length is 2.02 Å. All Ba(1)-Cd(1) bond lengths are 3.02 Å. Ir(1) is bonded to three equivalent Na(1), one Ba(1), and one Cd(1) atom to form distorted IrBaNa3Cd trigonal bipyramids that share corners with six equivalent Ir(1)BaNa3Cd trigonal bipyramids,  a cornercorner with one Na(1)BaIr3 trigonal pyramid, and corners with three equivalent Cd(1)Ba3Ir trigonal pyramids. The Ir(1)-Cd(1) bond length is 2.02 Å. Cd(1) is bonded to three equivalent Ba(1) and one Ir(1) atom to form distorted CdBa3Ir trigonal pyramids that share corners with three equivalent Ir(1)BaNa3Cd trigonal bipyramids, corners with six equivalent Cd(1)Ba3Ir trigonal pyramids, and edges with three equivalent Na(1)BaIr3 trigonal pyramids.