data_[K6Na6Sn16]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.9588]
_cell_length_b [11.3996]
_cell_length_c [16.2253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [K3Na3Sn8]
_chemical_formula_sum '[K6 Na6 Sn16]'
_cell_volume [917.1927]
_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  4  0.0000  0.0000  0.1987  1.0
  K  K1  2  0.0000  0.0000  0.5000  1.0
  Na  Na2  4  0.0000  0.2216  0.0000  1.0
  Na  Na3  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn4  8  0.0000  0.2840  0.3613  1.0
  Sn  Sn5  8  0.0000  0.3615  0.1784  1.0
]