data_[Rb8Be4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [14.8675]
_cell_length_b [6.6540]
_cell_length_c [10.6293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.7962]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2BeSe2]
_chemical_formula_sum '[Rb8 Be4 Se8]'
_cell_volume [771.5838]
_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
[
  Rb  Rb0  4  0.1344  0.0000  0.4545  1
  Rb  Rb1  4  0.2160  0.5000  0.8133  1
  Be  Be2  4  0.0319  0.5000  0.1476  1
  Se  Se3  4  0.0790  0.5000  0.3846  1
  Se  Se4  4  0.1563  0.5000  0.1028  1
]