data_KAgPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.5
_cell_length_b   10.5
_cell_length_c   10.5
_cell_angle_alpha   17.75
_cell_angle_beta   17.75
_cell_angle_gamma   17.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAgPd2
_chemical_formula_sum   'K1 Ag1 Pd2'
_cell_volume   93.89
_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
  Ag  Ag0  1  0.0  0.0  0.5  1.0
  Pd  Pd2  1  0.0  0.0  0.75  1.0
  Pd  Pd3  1  0.0  0.0  0.24  1.0

data_KAgPd2
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   5.61
_cell_length_b   3.24
_cell_length_c   10.5
_cell_angle_alpha   90.0
_cell_angle_beta   100.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   KAgPd2
_chemical_formula_sum   'K2 Ag2 Pd4'
_cell_volume   187.78
_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, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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
  Ag  Ag1  2  0.0  0.0  0.5  1.0
  Pd  Pd2  4  -0.0  0.0  0.25  1.0

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