data_[K4Al4Ge4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Al  1.6100  1.2500  0.6750
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.6380]
_cell_length_b [12.2326]
_cell_length_c [7.2753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KAlGeS4]
_chemical_formula_sum '[K4 Al4 Ge4 S16]'
_cell_volume [768.7407]
_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  0.5000  0.0000  1.0
  Al  Al1  4  0.0000  0.1220  0.7500  1.0
  Ge  Ge2  4  0.0000  0.1257  0.2500  1.0
  S  S3  8  0.0000  0.2350  0.0012  1.0
  S  S4  8  0.1942  0.0036  0.2500  1.0
]