data_[K20Sb4S4]
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 [9.4728]
_cell_length_b [10.1413]
_cell_length_c [11.8746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2430]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K5SbS]
_chemical_formula_sum '[K20 Sb4 S4]'
_cell_volume [1137.6221]
_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  8  0.1630  0.2037  0.6517  1
  K  K1  8  0.1831  0.4169  0.0098  1
  K  K2  4  0.0000  0.1275  0.2500  1
  Sb  Sb3  4  0.0000  0.4901  0.2500  1
  S  S4  4  0.0000  0.0000  0.0000  1
]