data_[K16Sb8S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [7.9607]
_cell_length_b [13.6471]
_cell_length_c [15.4086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [K2SbS3]
_chemical_formula_sum '[K16 Sb8 S24]'
_cell_volume [1673.9861]
_cell_formula_units_Z [8]
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  0.0000  0.0405  0.8437  1
  K  K1  8  0.0000  0.1407  0.4252  1
  Sb  Sb2  8  0.0000  0.2426  0.1564  1
  S  S3  8  0.0000  0.0856  0.6342  1
  S  S4  8  0.0000  0.1535  0.0236  1
  S  S5  8  0.2500  0.1940  0.2500  1
]