data_[Cs8Be4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [15.2436]
_cell_length_b [7.0930]
_cell_length_c [10.8468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.9231]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2BeSe2]
_chemical_formula_sum '[Cs8 Be4 Se8]'
_cell_volume [858.7881]
_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  0.1267  0.0000  0.4474  1
  Cs  Cs1  4  0.2216  0.5000  0.8199  1
  Be  Be2  4  0.0320  0.5000  0.1465  1
  Se  Se3  4  0.0795  0.5000  0.3805  1
  Se  Se4  4  0.1523  0.5000  0.1006  1
]