data_[K8Sn4Ge4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7222]
_cell_length_b [20.0306]
_cell_length_c [13.3199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2SnGeS5]
_chemical_formula_sum '[K8 Sn4 Ge4 S20]'
_cell_volume [993.1006]
_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  0.1148  0.3079  1.0
  K  K1  4  0.0000  0.1162  0.6679  1.0
  Sn  Sn2  4  0.0000  0.2283  0.0322  1.0
  Ge  Ge3  4  0.0000  0.4346  0.4349  1.0
  S  S4  4  0.0000  0.0462  0.0378  1.0
  S  S5  4  0.0000  0.2880  0.6592  1.0
  S  S6  4  0.0000  0.3215  0.4037  1.0
  S  S7  4  0.0000  0.3415  0.9869  1.0
  S  S8  4  0.0000  0.4850  0.2933  1.0
]