data_K2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   8.9
_cell_angle_alpha   118.83
_cell_angle_beta   118.83
_cell_angle_gamma   45.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Pd
_chemical_formula_sum   'K4 Pd2'
_cell_volume   229.48
_cell_formula_units_Z   2
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  0.03  0.0  0.68  1.0
  K  K1  1  0.52  0.0  0.54  1.0
  K  K2  1  0.89  0.0  0.05  1.0
  K  K3  1  0.38  0.0  0.91  1.0
  Pd  Pd4  1  0.68  0.0  0.18  1.0
  Pd  Pd5  1  0.73  0.0  0.41  1.0

data_K2Pd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.01
_cell_length_b   6.53
_cell_length_c   8.11
_cell_angle_alpha   73.97
_cell_angle_beta   72.0
_cell_angle_gamma   67.43
_symmetry_Int_Tables_number   2
_chemical_formula_structural   K2Pd
_chemical_formula_sum   'K4 Pd2'
_cell_volume   229.48
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.07  0.61  1.0
  K  K1  2  0.0  0.43  0.75  1.0
  Pd  Pd2  2  0.0  0.09  0.88  1.0

K K K K Pd Pd
K K K K Pd Pd 0 5 - o o 0 3 o o o 1 5 o o o 2 4 o o o 3 4 o o + 4 5 o o o 