data_KCdPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCdPb2
_chemical_formula_sum   'K1 Cd1 Pb2'
_cell_volume   131.57
_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  K1  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.18  1.0
  Pb  Pb2  1  0.77  0.0  0.58  1.0
  Pb  Pb3  1  0.77  0.0  0.78  1.0

data_KCdPb2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KCdPb2
_chemical_formula_sum   'K1 Cd1 Pb2'
_cell_volume   131.62
_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  0.18  1.0
  Pb  Pb2  1  0.77  0.0  0.58  1.0
  Pb  Pb3  1  0.77  0.0  0.78  1.0

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