data_[K4Ca4Pd4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  Pd  2.2000  1.4000  0.8462
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2323]
_cell_length_b [3.9403]
_cell_length_c [7.3696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KCaPdO3]
_chemical_formula_sum '[K4 Ca4 Pd4 O12]'
_cell_volume [372.4170]
_cell_formula_units_Z [4]
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  4  0.1469  0.5000  0.0678  1.0
  Ca  Ca1  4  0.1549  0.5000  0.5745  1.0
  Pd  Pd2  4  0.0046  0.0000  0.2852  1.0
  O  O3  4  0.0045  0.5000  0.3059  1.0
  O  O4  4  0.1501  0.0000  0.7801  1.0
  O  O5  4  0.1616  0.0000  0.3683  1.0
]