data_[K16Rb4Na36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Na  0.9300  1.8000  1.1600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [12.6896]
_cell_length_b [12.6896]
_cell_length_c [18.2512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [K4RbNa9]
_chemical_formula_sum '[K16 Rb4 Na36]'
_cell_volume [2938.9062]
_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  16  0.1919  0.3081  0.1317  1
  Rb  Rb1  4  0.0000  0.0000  0.2500  1
  Na  Na2  16  0.0519  0.2043  0.5000  1
  Na  Na3  16  0.1000  0.4000  0.3283  1
  Na  Na4  4  0.0000  0.5000  0.0000  1
]