data_[K2Na6S16]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.1902]
_cell_length_b [10.9152]
_cell_length_c [7.4669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.8709]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KNa3S8]
_chemical_formula_sum '[K2 Na6 S16]'
_cell_volume [608.6850]
_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  2  0.4835  0.5000  0.9595  1
  Na  Na1  4  0.0211  0.2508  0.5412  1
  Na  Na2  2  0.4791  0.0000  0.9620  1
  S  S3  4  0.1728  0.2595  0.0429  1
  S  S4  4  0.3683  0.2441  0.0406  1
  S  S5  2  0.0696  0.5000  0.4452  1
  S  S6  2  0.0837  0.0000  0.4700  1
  S  S7  2  0.3708  0.5000  0.4365  1
  S  S8  2  0.3890  0.0000  0.4776  1
]