data_KPd2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   3.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPd2Pb
_chemical_formula_sum   'K1 Pd2 Pb1'
_cell_volume   86.7
_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
  Pd  Pd2  1  0.56  0.0  0.66  1.0
  Pd  Pd3  1  0.0  0.56  0.66  1.0
  Pb  Pb1  1  0.56  0.56  0.0  1.0

data_KPd2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.24
_cell_length_b   7.24
_cell_length_c   3.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KPd2Pb
_chemical_formula_sum   'K2 Pd4 Pb2'
_cell_volume   173.4
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Pd  Pd1  4  0.28  0.28  0.66  1.0
  Pb  Pb2  2  0.06  0.5  0.0  1.0

K Pd Pd Pb
K Pd Pd Pb 0 3 - - o 0 1 - o - 0 1 - o o 0 1 o o - 0 2 o - - 0 2 o - o 0 2 o o - 0 0 o o + 1 3 o - o 1 3 o - + 1 3 o o + 1 2 + - o 1 1 o o + 2 3 - o o 2 3 - o + 2 3 o o + 2 2 o o + 3 3 o o + 