data_[Cs6K4W2Se12]
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
  W  2.3600  1.3500  0.7667
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1107]
_cell_length_b [13.8854]
_cell_length_c [8.3268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3K2WSe6]
_chemical_formula_sum '[Cs6 K4 W2 Se12]'
_cell_volume [886.3940]
_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  4  0.0000  0.1791  0.5000  1
  Cs  Cs1  2  0.0000  0.5000  0.5000  1
  K  K2  4  0.0000  0.3351  0.0000  1
  W  W3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.1930  0.1314  0.1843  1
  Se  Se5  4  0.1917  0.0000  0.8112  1
]