data_K2LiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   132.11
_cell_angle_beta   128.28
_cell_angle_gamma   73.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LiPd
_chemical_formula_sum   'K2 Li1 Pd1'
_cell_volume   124.8
_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  0.45  0.0  0.54  1.0
  K  K1  1  0.0  0.63  0.31  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.84  1.0

data_K2LiPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.9
_cell_length_b   5.26
_cell_length_c   6.03
_cell_angle_alpha   115.86
_cell_angle_beta   113.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LiPd
_chemical_formula_sum   'K2 Li1 Pd1'
_cell_volume   124.8
_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  0.69  0.33  0.33  1.0
  K  K1  1  0.91  0.46  0.91  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.16  0.16  0.16  1.0

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