data_[K8Sn8Se20]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.8229]
_cell_length_b [8.4549]
_cell_length_c [12.0907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9266]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K2Sn2Se5]
_chemical_formula_sum '[K8 Sn8 Se20]'
_cell_volume [1149.9175]
_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  8  0.2323  0.3277  0.3192  1.0
  Sn  Sn1  8  0.0959  0.1508  0.9425  1.0
  Se  Se2  8  0.0151  0.1368  0.1203  1.0
  Se  Se3  8  0.1937  0.4509  0.0357  1.0
  Se  Se4  4  0.0000  0.3156  0.7500  1.0
]