data_[K4Si4Ag4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Si  1.9000  1.1000  0.5400
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.8214]
_cell_length_b [3.6295]
_cell_length_c [10.2005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KSiAgS3]
_chemical_formula_sum '[K4 Si4 Ag4 S12]'
_cell_volume [511.7058]
_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  0.1364  0.2500  0.9978  1
  Si  Si1  4  0.0379  0.7500  0.3627  1
  Ag  Ag2  4  0.2034  0.7500  0.7432  1
  S  S3  4  0.0293  0.7500  0.7661  1
  S  S4  4  0.0954  0.2500  0.5007  1
  S  S5  4  0.1712  0.7500  0.2406  1
]