data_[K4Ca2Pd2F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1481]
_cell_length_b [6.2353]
_cell_length_c [10.6555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9744]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2CaPdF6]
_chemical_formula_sum '[K4 Ca2 Pd2 F12]'
_cell_volume [334.7151]
_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  4  0.2407  0.0384  0.2496  1.0
  Ca  Ca1  2  0.5000  0.0000  0.0000  1.0
  Pd  Pd2  2  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.1687  0.2140  0.9607  1.0
  F  F4  4  0.2477  0.7098  0.9609  1.0
  F  F5  4  0.3216  0.0222  0.7471  1.0
]