data_[K4Ag12S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1710]
_cell_length_b [4.3184]
_cell_length_c [8.8380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KAg3S2]
_chemical_formula_sum '[K4 Ag12 S8]'
_cell_volume [550.7028]
_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  0.1353  0.0000  0.5422  1
  Ag  Ag1  4  0.0587  0.0000  0.9001  1
  Ag  Ag2  4  0.0998  0.5000  0.1579  1
  Ag  Ag3  4  0.1865  0.5000  0.9029  1
  S  S4  4  0.0129  0.5000  0.7149  1
  S  S5  4  0.1997  0.0000  0.2114  1
]