data_[Cs2Ba2Be2Se4]
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 [P2/c]
_cell_length_a [8.4085]
_cell_length_b [5.0277]
_cell_length_c [9.4969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [CsBaBeSe2]
_chemical_formula_sum '[Cs2 Ba2 Be2 Se4]'
_cell_volume [392.5581]
_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  0.2436  0.2500  1
  Ba  Ba1  2  0.0000  0.4809  0.7500  1
  Be  Be2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.2139  0.2167  0.5331  1
]