data_[Cs2K4Se4]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5184]
_cell_length_b [5.3079]
_cell_length_c [13.5182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1734]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsK2Se2]
_chemical_formula_sum '[Cs2 K4 Se4]'
_cell_volume [391.9379]
_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  0.3314  0.7500  0.7387  1.0
  K  K1  2  0.1267  0.7500  0.1196  1.0
  K  K2  2  0.2506  0.2500  0.5017  1.0
  Se  Se3  2  0.2003  0.7500  0.3586  1.0
  Se  Se4  2  0.4280  0.2500  0.0012  1.0
]