data_KBaPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   4.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaPd2
_chemical_formula_sum   'K1 Ba1 Pd2'
_cell_volume   114.35
_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  K1  1  0.0  0.0  0.0  1.0
  Ba  Ba0  1  0.37  0.0  0.0  1.0
  Pd  Pd2  1  0.68  0.04  0.08  1.0
  Pd  Pd3  1  0.68  0.96  0.08  1.0

data_KBaPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   100.97
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaPd2
_chemical_formula_sum   'K1 Ba1 Pd2'
_cell_volume   114.35
_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  0.0  0.0  1.0
  Ba  Ba1  1  -0.0  0.37  0.0  1.0
  Pd  Pd2  1  0.08  0.68  0.96  1.0
  Pd  Pd3  1  0.08  0.68  0.04  1.0

K Ba Pd Pd