data_BaCdCuMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCdCuMo
_chemical_formula_sum   'Ba1 Cd1 Cu1 Mo1'
_cell_volume   98.02
_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  0.66  0.66  0.66  1.0
  Cd  Cd1  1  0.83  0.83  0.83  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.49  0.49  0.49  1.0

data_BaCdCuMo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaCdCuMo
_chemical_formula_sum   'Ba3 Cd3 Cu3 Mo3'
_cell_volume   294.06
_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  0.34  1.0
  Cd  Cd1  3  0.0  0.0  0.17  1.0
  Cu  Cu2  3  0.0  0.0  0.0  1.0
  Mo  Mo3  3  0.0  0.0  0.51  1.0

Ba Cd Cu Mo
BaMoCuCd crystallizes in the trigonal R3m space group. Ba(1) is bonded in a distorted linear geometry to one Mo(1), three equivalent Cu(1), and one Cd(1) atom. The Ba(1)-Mo(1) bond length is 2.16 Å. All Ba(1)-Cu(1) bond lengths are 2.99 Å. The Ba(1)-Cd(1) bond length is 2.16 Å. Mo(1) is bonded in a distorted single-bond geometry to one Ba(1) and three equivalent Cd(1) atoms. All Mo(1)-Cd(1) bond lengths are 2.99 Å. Cu(1) is bonded to three equivalent Ba(1) and one Cd(1) atom to form CuBa3Cd trigonal pyramids that share corners with three equivalent Cd(1)BaCuMo3 trigonal bipyramids and corners with six equivalent Cu(1)Ba3Cd trigonal pyramids. The Cu(1)-Cd(1) bond length is 2.16 Å. Cd(1) is bonded to one Ba(1), three equivalent Mo(1), and one Cu(1) atom to form distorted CdBaCuMo3 trigonal bipyramids that share corners with six equivalent Cd(1)BaCuMo3 trigonal bipyramids and corners with three equivalent Cu(1)Ba3Cd trigonal pyramids.