data_KCdAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   2.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCdAu2
_chemical_formula_sum   'K1 Cd1 Au2'
_cell_volume   93.97
_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  Cd2  1  0.97  0.0  0.0  1.0
  Au  Au0  1  0.98  0.02  0.46  1.0
  Au  Au1  1  0.98  0.98  0.46  1.0

data_KCdAu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.93
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KCdAu2
_chemical_formula_sum   'K1 Cd1 Au2'
_cell_volume   93.99
_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  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.97  1.0
  Au  Au2  2  0.46  0.02  0.98  1.0

K Cd Au Au
K Cd Au Au 0 1 - o o 2 3 o - o 