data_[K4Ba16Y4]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [11.2181]
_cell_length_b [11.2181]
_cell_length_c [11.2181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [KBa4Y]
_chemical_formula_sum '[K4 Ba16 Y4]'
_cell_volume [1411.7445]
_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  0.2500  0.2500  0.2500  1
  Ba  Ba1  16  0.1267  0.1267  0.6267  1
  Y  Y2  4  0.0000  0.0000  0.0000  1
]