data_K2SiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   6.44
_cell_angle_alpha   144.23
_cell_angle_beta   126.23
_cell_angle_gamma   66.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2SiPd
_chemical_formula_sum   'K2 Si1 Pd1'
_cell_volume   124.0
_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  0.91  0.01  1.0
  K  K1  1  0.0  0.0  0.01  1.0
  Si  Si3  1  0.0  0.0  0.35  1.0
  Pd  Pd2  1  0.0  0.91  0.8  1.0

data_K2SiPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   5.82
_cell_length_c   6.44
_cell_angle_alpha   116.89
_cell_angle_beta   107.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2SiPd
_chemical_formula_sum   'K2 Si1 Pd1'
_cell_volume   124.0
_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  0.99  0.9  0.9  1.0
  K  K1  1  0.99  0.99  0.99  1.0
  Si  Si2  1  0.65  0.65  0.65  1.0
  Pd  Pd3  1  0.2  0.11  0.11  1.0

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