data_[Cs4K2B4Se12]
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
  B  2.0400  0.8500  0.4100
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4956]
_cell_length_b [6.1187]
_cell_length_c [11.1327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3742]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2K(BSe3)2]
_chemical_formula_sum '[Cs4 K2 B4 Se12]'
_cell_volume [776.4074]
_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  0.1953  0.5000  0.1645  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  B  B2  4  0.0675  0.0000  0.3086  1.0
  Se  Se3  8  0.0333  0.2508  0.7890  1.0
  Se  Se4  4  0.2305  0.0000  0.4702  1.0
]