data_K2CdCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   4.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CdCu
_chemical_formula_sum   'K2 Cd1 Cu1'
_cell_volume   141.21
_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  0.98  0.98  0.2  1.0
  K  K3  1  0.98  0.02  0.2  1.0
  Cd  Cd0  1  0.96  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0

data_K2CdCu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.4
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   K2CdCu
_chemical_formula_sum   'K2 Cd1 Cu1'
_cell_volume   141.24
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.2  0.02  0.98  1.0
  Cd  Cd1  1  0.0  0.0  0.96  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0

K K Cd Cu