data_[K4Ag4Ge4S12]
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
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5716]
_cell_length_b [14.9351]
_cell_length_c [10.3739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KAgGeS3]
_chemical_formula_sum '[K4 Ag4 Ge4 S12]'
_cell_volume [553.3602]
_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  0.2198  0.7500  1
  Ag  Ag1  4  0.0000  0.0870  0.2500  1
  Ge  Ge2  4  0.0000  0.5000  0.0000  1
  S  S3  8  0.0000  0.1155  0.0205  1
  S  S4  4  0.0000  0.4577  0.2500  1
]