data_[K4Ca4Pd4Cl24]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.8686]
_cell_length_b [9.4853]
_cell_length_c [12.0607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [KCaPdCl6]
_chemical_formula_sum '[K4 Ca4 Pd4 Cl24]'
_cell_volume [1014.5594]
_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  0.0000  0.2500  0.8439  1.0
  Ca  Ca1  4  0.2500  0.2500  0.2500  1.0
  Pd  Pd2  4  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  16  0.1877  0.4661  0.6356  1.0
  Cl  Cl4  4  0.0000  0.2500  0.1212  1.0
  Cl  Cl5  4  0.0000  0.2500  0.4349  1.0
]