data_KSmPdO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   7.31
_cell_angle_alpha   104.02
_cell_angle_beta   104.02
_cell_angle_gamma   33.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSmPdO3
_chemical_formula_sum   'K2 Sm2 Pd2 O6'
_cell_volume   182.52
_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  0.95  0.0  0.62  1.0
  K  K1  1  0.34  0.0  0.45  1.0
  Sm  Sm10  1  0.47  0.0  0.09  1.0
  Sm  Sm11  1  0.82  0.0  0.98  1.0
  Pd  Pd8  1  0.7  0.0  0.17  1.0
  Pd  Pd9  1  0.58  0.0  0.9  1.0
  O  O2  1  0.73  0.0  0.49  1.0
  O  O3  1  0.21  0.0  0.88  1.0
  O  O4  1  0.59  0.0  0.52  1.0
  O  O5  1  0.7  0.0  0.56  1.0
  O  O6  1  0.08  0.0  0.2  1.0
  O  O7  1  0.56  0.0  0.59  1.0

data_KSmPdO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.93
_cell_length_b   6.86
_cell_length_c   7.31
_cell_angle_alpha   104.02
_cell_angle_beta   90.0
_cell_angle_gamma   106.65
_symmetry_Int_Tables_number   2
_chemical_formula_structural   KSmPdO3
_chemical_formula_sum   'K2 Sm2 Pd2 O6'
_cell_volume   182.52
_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  0.3  0.09  1.0
  Sm  Sm1  2  0.0  0.17  0.45  1.0
  Pd  Pd2  2  0.0  0.06  0.64  1.0
  O  O3  2  0.0  0.06  0.02  1.0
  O  O4  2  0.0  0.09  0.95  1.0
  O  O5  2  0.0  0.43  0.66  1.0

K K Sm Sm Pd Pd O O O O O O
K K Sm Sm Pd Pd O O O O O O 0 9 o o o 0 6 o o o 0 7 + o o 1 11 o o o 1 8 o o o 1 10 o o o 2 5 o o - 2 4 o o o 2 7 o o - 3 5 o o o 3 4 o o + 3 10 + o + 4 10 + o o 5 7 o o o 6 9 o o o 8 11 o o o 