data_[K8Sn4Te4S20]
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
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9474]
_cell_length_b [19.1257]
_cell_length_c [13.9575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2SnTeS5]
_chemical_formula_sum '[K8 Sn4 Te4 S20]'
_cell_volume [1053.7446]
_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  0.1055  0.6684  1
  K  K1  4  0.0000  0.1319  0.3141  1
  Sn  Sn2  4  0.0000  0.4371  0.4281  1
  Te  Te3  4  0.0000  0.2228  0.0376  1
  S  S4  4  0.0000  0.0427  0.0352  1
  S  S5  4  0.0000  0.2739  0.6632  1
  S  S6  4  0.0000  0.3117  0.3955  1
  S  S7  4  0.0000  0.3412  0.9975  1
  S  S8  4  0.0000  0.4997  0.2844  1
]