data_KAlPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   4.35
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   97.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlPd2
_chemical_formula_sum   'K1 Al1 Pd2'
_cell_volume   85.28
_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  0.19  0.17  0.16  1.0
  Al  Al0  1  0.99  0.0  0.33  1.0
  Pd  Pd2  1  0.5  0.0  0.33  1.0
  Pd  Pd3  1  0.42  0.17  0.13  1.0

data_KAlPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.35
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   97.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlPd2
_chemical_formula_sum   'K1 Al1 Pd2'
_cell_volume   85.28
_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  0.19  0.17  0.16  1.0
  Al  Al1  1  0.99  0.0  0.33  1.0
  Pd  Pd2  1  0.42  0.17  0.13  1.0
  Pd  Pd3  1  0.5  0.0  0.33  1.0

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