data_[Cs2K6Se4]
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 [Pmc2_1]
_cell_length_a [5.2179]
_cell_length_b [9.9773]
_cell_length_c [8.6662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [CsK3Se2]
_chemical_formula_sum '[Cs2 K6 Se4]'
_cell_volume [451.1699]
_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  0.4275  0.5249  1
  K  K1  2  0.0000  0.0760  0.4739  1
  K  K2  2  0.0000  0.3193  0.8535  1
  K  K3  2  0.5000  0.1724  0.1450  1
  Se  Se4  2  0.0000  0.3545  0.2380  1
  Se  Se5  2  0.5000  0.1326  0.7648  1
]