data_[Cs4Ba2Be4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Be  1.5700  1.0500  0.5900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8138]
_cell_length_b [4.2251]
_cell_length_c [9.0332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Ba(BeSe2)2]
_chemical_formula_sum '[Cs4 Ba2 Be4 Se8]'
_cell_volume [581.3022]
_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  0.1298  0.0000  0.5624  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Be  Be2  4  0.1746  0.5000  0.9555  1
  Se  Se3  4  0.0383  0.5000  0.7687  1
  Se  Se4  4  0.2121  0.0000  0.1181  1
]