data_[K4Na8Ac8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Ac  1.1000  1.9500  1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [6.7840]
_cell_length_b [6.7840]
_cell_length_c [19.0298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [K(NaAc)2]
_chemical_formula_sum '[K4 Na8 Ac8]'
_cell_volume [875.8013]
_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  0.0000  0.0000  0.0000  1
  Na  Na1  8  0.0000  0.2500  0.6250  1
  Ac  Ac2  8  0.0000  0.0000  0.1926  1
]