data_KCdCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   131.14
_cell_angle_beta   131.14
_cell_angle_gamma   71.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCdCu2
_chemical_formula_sum   'K1 Cd1 Cu2'
_cell_volume   83.81
_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
  K  K3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.2  0.0  0.16  1.0
  Cu  Cu1  1  0.0  0.0  0.32  1.0
  Cu  Cu2  1  0.0  0.2  0.16  1.0

data_KCdCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   5.33
_cell_angle_alpha   114.43
_cell_angle_beta   114.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCdCu2
_chemical_formula_sum   'K1 Cd1 Cu2'
_cell_volume   83.81
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.84  0.0  0.04  1.0
  Cu  Cu2  1  0.04  0.2  0.04  1.0
  Cu  Cu3  1  0.68  0.0  0.68  1.0

K Cd Cu Cu
K Cd Cu Cu 0 3 o o o 0 1 o o o 0 2 o o o 1 2 o o o 2 3 o o o 