data_[Cs2K2Se2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [8.1400]
_cell_length_b [5.4846]
_cell_length_c [8.9794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8392]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [CsKSeS2]
_chemical_formula_sum '[Cs2 K2 Se2 S4]'
_cell_volume [389.2449]
_cell_formula_units_Z [2]
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
[
  Cs  Cs0  2  0.5000  0.2266  0.2500  1
  K  K1  2  0.0000  0.4742  0.7500  1
  Se  Se2  2  0.0000  0.0000  0.0000  1
  S  S3  4  0.2449  0.2549  0.5389  1
]