data_K2NbPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   6.58
_cell_length_c   2.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   128.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2NbPd
_chemical_formula_sum   'K2 Nb1 Pd1'
_cell_volume   98.42
_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  0.44  0.04  0.44  1.0
  K  K1  1  0.44  0.96  0.44  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.88  0.0  0.0  1.0

data_K2NbPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   5.76
_cell_length_c   6.58
_cell_angle_alpha   115.96
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2NbPd
_chemical_formula_sum   'K2 Nb1 Pd1'
_cell_volume   98.42
_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  0.44  0.04  0.48  1.0
  K  K1  1  0.44  0.96  0.4  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.88  1.0

K K Nb Pd
K K Nb Pd 0 1 o - o 2 3 - o o 