data_K3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55
_cell_length_b   7.55
_cell_length_c   7.55
_cell_angle_alpha   145.87
_cell_angle_beta   66.36
_cell_angle_gamma   124.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Pd
_chemical_formula_sum   'K3 Pd1'
_cell_volume   195.29
_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  0.0  0.46  0.39  1.0
  K  K1  1  0.0  0.0  0.76  1.0
  K  K2  1  0.0  0.18  0.39  1.0
  Pd  Pd3  1  0.22  0.0  0.27  1.0

data_K3Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.43
_cell_length_b   6.98
_cell_length_c   7.55
_cell_angle_alpha   117.52
_cell_angle_beta   107.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Pd
_chemical_formula_sum   'K3 Pd1'
_cell_volume   195.29
_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  -0.0  0.24  0.24  1.0
  K  K1  1  0.18  0.79  0.79  1.0
  K  K2  1  0.46  0.07  0.07  1.0
  Pd  Pd3  1  0.78  0.73  0.51  1.0

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