data_[K2Ba12Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.7810]
_cell_length_b [4.6752]
_cell_length_c [15.2364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0341]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [K(Ba2Pd)3]
_chemical_formula_sum '[K2 Ba12 Pd6]'
_cell_volume [960.0909]
_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  2  0.0446  0.2500  0.6562  1
  Ba  Ba1  2  0.0717  0.7500  0.9111  1
  Ba  Ba2  2  0.2257  0.7500  0.1844  1
  Ba  Ba3  2  0.2313  0.2500  0.4712  1
  Ba  Ba4  2  0.3578  0.7500  0.7613  1
  Ba  Ba5  2  0.3777  0.2500  0.0190  1
  Ba  Ba6  2  0.4747  0.7500  0.3783  1
  Pd  Pd7  2  0.1498  0.2500  0.0487  1
  Pd  Pd8  2  0.3711  0.7500  0.5516  1
  Pd  Pd9  2  0.4862  0.7500  0.1524  1
]