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 [C2]
_cell_length_a [12.9493]
_cell_length_b [7.6720]
_cell_length_c [6.1764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8851]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [RbAlSe2]
_chemical_formula_sum '[Rb4 Al4 Se8]'
_cell_volume [604.5042]
_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  0.1693  0.0320  0.7903  1.0
  Al  Al1  2  0.0000  0.6329  0.0000  1.0
  Al  Al2  2  0.0000  0.6335  0.5000  1.0
  Se  Se3  4  0.1008  0.8100  0.2860  1.0
  Se  Se4  4  0.1077  0.4732  0.7885  1.0
]