data_[Cs4K4Si4Se8S4]
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
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8717]
_cell_length_b [7.1831]
_cell_length_c [10.1684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.0560]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsKSiSe2S]
_chemical_formula_sum '[Cs4 K4 Si4 Se8 S4]'
_cell_volume [808.5818]
_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
[
  Cs  Cs0  4  0.2002  0.5000  0.3224  1
  K  K1  4  0.0834  0.0000  0.8777  1
  Si  Si2  4  0.1244  0.5000  0.6849  1
  Se  Se3  4  0.0000  0.2572  0.5000  1
  Se  Se4  4  0.1211  0.5000  0.9025  1
  S  S5  4  0.2050  0.0000  0.2629  1
]