data_KLaCdCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLaCdCu
_chemical_formula_sum   'K1 La1 Cd1 Cu1'
_cell_volume   101.07
_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  K2  1  0.0  0.0  0.0  1.0
  La  La3  1  0.85  0.85  0.85  1.0
  Cd  Cd0  1  0.55  0.55  0.55  1.0
  Cu  Cu1  1  0.7  0.7  0.7  1.0

data_KLaCdCu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   12.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KLaCdCu
_chemical_formula_sum   'K3 La3 Cd3 Cu3'
_cell_volume   303.21
_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
  La  La1  3  0.0  0.0  0.15  1.0
  Cd  Cd2  3  0.0  0.0  0.45  1.0
  Cu  Cu3  3  0.0  0.0  0.3  1.0

K La Cd Cu
K La Cd Cu 0 1 - - - 1 3 o o o 2 3 o o o 
KLaCuCd crystallizes in the trigonal R3m space group. K(1) is bonded to one La(1) and three equivalent Cu(1) atoms to form distorted KLaCu3 trigonal pyramids that share  a cornercorner with one Cu(1)K3LaCd trigonal bipyramid and corners with six equivalent K(1)LaCu3 trigonal pyramids. The K(1)-La(1) bond length is 1.94 Å. All K(1)-Cu(1) bond lengths are 3.04 Å. La(1) is bonded in a 2-coordinate geometry to one K(1), one Cu(1), and three equivalent Cd(1) atoms. The La(1)-Cu(1) bond length is 1.94 Å. All La(1)-Cd(1) bond lengths are 3.04 Å. Cu(1) is bonded to three equivalent K(1), one La(1), and one Cd(1) atom to form distorted CuK3LaCd trigonal bipyramids that share corners with six equivalent Cu(1)K3LaCd trigonal bipyramids and  a cornercorner with one K(1)LaCu3 trigonal pyramid. The Cu(1)-Cd(1) bond length is 1.94 Å. Cd(1) is bonded in a 4-coordinate geometry to three equivalent La(1) and one Cu(1) atom.