data_[Rb4Al4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [6.9156]
_cell_length_b [10.8007]
_cell_length_c [6.8445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [RbAlSe2]
_chemical_formula_sum '[Rb4 Al4 Se8]'
_cell_volume [511.2432]
_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  0.0195  0.6237  0.5402  1.0
  Al  Al1  4  0.0397  0.8745  0.9939  1.0
  Se  Se2  4  0.0233  0.9280  0.6485  1.0
  Se  Se3  4  0.1275  0.3165  0.5672  1.0
]