data_[K4Sb4S16]
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 [C2/c]
_cell_length_a [7.8338]
_cell_length_b [15.6385]
_cell_length_c [6.7253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3236]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KSbS4]
_chemical_formula_sum '[K4 Sb4 S16]'
_cell_volume [823.8882]
_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  0.4100  0.7500  1
  Sb  Sb1  4  0.0000  0.0525  0.2500  1
  S  S2  8  0.1140  0.2978  0.3056  1
  S  S3  8  0.2043  0.0431  0.9151  1
]