data_[K20Rb8Na12]
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 [Ibam]
_cell_length_a [16.8490]
_cell_length_b [19.2141]
_cell_length_c [8.4040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [K5Rb2Na3]
_chemical_formula_sum '[K20 Rb8 Na12]'
_cell_volume [2720.6734]
_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  8  0.0697  0.1644  0.5000  1.0
  Rb  Rb1  8  0.1549  0.2845  0.0000  1.0
  K  K2  8  0.2296  0.0000  0.2500  1.0
  K  K3  4  0.0000  0.5000  0.2500  1.0
  Na  Na4  8  0.1349  0.3592  0.5000  1.0
  Na  Na5  4  0.0000  0.0000  0.2500  1.0
]