data_KCoPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   153.17
_cell_angle_beta   129.98
_cell_angle_gamma   57.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCoPd2
_chemical_formula_sum   'K1 Co1 Pd2'
_cell_volume   74.86
_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  0.86  1.0
  Co  Co0  1  0.4  0.0  0.9  1.0
  Pd  Pd2  1  0.4  0.0  0.29  1.0
  Pd  Pd3  1  0.0  0.0  0.76  1.0

data_KCoPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   5.09
_cell_length_c   6.02
_cell_angle_alpha   115.01
_cell_angle_beta   103.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCoPd2
_chemical_formula_sum   'K1 Co1 Pd2'
_cell_volume   74.86
_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  0.14  0.14  0.14  1.0
  Co  Co1  1  0.5  0.1  0.5  1.0
  Pd  Pd2  1  0.1  0.71  0.1  1.0
  Pd  Pd3  1  0.24  0.24  0.24  1.0

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