data_KCd2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCd2Au
_chemical_formula_sum   'K1 Cd2 Au1'
_cell_volume   109.5
_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  Cd1  1  0.51  0.0  0.83  1.0
  Cd  Cd2  1  0.51  0.0  0.66  1.0
  Au  Au0  1  0.0  0.0  0.25  1.0

data_KCd2Au
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   KCd2Au
_chemical_formula_sum   'K1 Cd2 Au1'
_cell_volume   109.52
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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  0.5  0.0  0.66  1.0
  Cd  Cd2  1  0.5  0.0  0.83  1.0
  Au  Au3  1  0.0  0.0  0.25  1.0

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