data_BaLiCdRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLiCdRe
_chemical_formula_sum   'Ba1 Li1 Cd1 Re1'
_cell_volume   97.84
_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  0.49  0.49  0.49  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.66  0.66  0.66  1.0
  Re  Re3  1  0.83  0.83  0.83  1.0

data_BaLiCdRe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   12.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaLiCdRe
_chemical_formula_sum   'Ba3 Li3 Cd3 Re3'
_cell_volume   293.52
_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  0.51  1.0
  Li  Li1  3  0.0  0.0  0.0  1.0
  Cd  Cd2  3  0.0  0.0  0.34  1.0
  Re  Re3  3  0.0  0.0  0.17  1.0

Ba Li Cd Re
Ba Li Cd Re 0 2 o o o 1 3 - - - 2 3 o o o 
LiBaReCd crystallizes in the trigonal R3m space group. Li(1) is bonded in a distorted single-bond geometry to one Re(1) and three equivalent Cd(1) atoms. The Li(1)-Re(1) bond length is 2.17 Å. All Li(1)-Cd(1) bond lengths are 2.99 Å. Ba(1) is bonded to three equivalent Re(1) and one Cd(1) atom to form distorted BaCdRe3 trigonal pyramids that share  a cornercorner with one Re(1)Ba3LiCd trigonal bipyramid, corners with three equivalent Cd(1)BaLi3Re trigonal bipyramids, and corners with six equivalent Ba(1)CdRe3 trigonal pyramids. All Ba(1)-Re(1) bond lengths are 2.99 Å. The Ba(1)-Cd(1) bond length is 2.17 Å. Re(1) is bonded to one Li(1), three equivalent Ba(1), and one Cd(1) atom to form distorted ReBa3LiCd trigonal bipyramids that share corners with six equivalent Re(1)Ba3LiCd trigonal bipyramids,  a cornercorner with one Ba(1)CdRe3 trigonal pyramid, and edges with three equivalent Cd(1)BaLi3Re trigonal bipyramids. The Re(1)-Cd(1) bond length is 2.17 Å. Cd(1) is bonded to three equivalent Li(1), one Ba(1), and one Re(1) atom to form distorted CdBaLi3Re trigonal bipyramids that share corners with six equivalent Cd(1)BaLi3Re trigonal bipyramids, corners with three equivalent Ba(1)CdRe3 trigonal pyramids, and edges with three equivalent Re(1)Ba3LiCd trigonal bipyramids.