data_[Cs4K4Be4Se8]
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
  Be  1.5700  1.0500  0.5900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [9.5142]
_cell_length_b [16.3438]
_cell_length_c [5.4650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [CsKBeSe2]
_chemical_formula_sum '[Cs4 K4 Be4 Se8]'
_cell_volume [849.8049]
_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  0.0000  0.2500  0.2899  1.0
  K  K1  4  0.2500  0.0000  0.5000  1.0
  Be  Be2  4  0.0000  0.0000  0.0000  1.0
  Se  Se3  8  0.0000  0.1031  0.8015  1.0
]