data_[K4Ag4Ge4Se4S8]
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
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5397]
_cell_length_b [15.6031]
_cell_length_c [10.5904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KAgGeSeS2]
_chemical_formula_sum '[K4 Ag4 Ge4 Se4 S8]'
_cell_volume [584.9067]
_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  0.2790  0.2500  1
  Ag  Ag1  4  0.0000  0.4053  0.7500  1
  Ge  Ge2  4  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.0000  0.0449  0.7500  1
  S  S4  8  0.0000  0.3876  0.5237  1
]