data_[Cs8Si4Se8S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [14.1731]
_cell_length_b [7.4193]
_cell_length_c [10.3176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2SiSe2S]
_chemical_formula_sum '[Cs8 Si4 Se8 S4]'
_cell_volume [889.2125]
_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  0.0778  0.0000  0.8678  1
  Cs  Cs1  4  0.2007  0.5000  0.3223  1
  Si  Si2  4  0.1170  0.5000  0.6774  1
  Se  Se3  4  0.0000  0.2646  0.5000  1
  Se  Se4  4  0.1114  0.5000  0.8904  1
  S  S5  4  0.2203  0.0000  0.2811  1
]