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 [Cm]
_cell_length_a [17.4851]
_cell_length_b [3.9494]
_cell_length_c [8.3879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [RbAlSe2]
_chemical_formula_sum '[Rb4 Al4 Se8]'
_cell_volume [564.8681]
_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  2  0.0046  0.5000  0.3481  1.0
  Rb  Rb1  2  0.2667  0.0000  0.9025  1.0
  Al  Al2  2  0.2015  0.5000  0.2762  1.0
  Al  Al3  2  0.3467  0.5000  0.5504  1.0
  Se  Se4  2  0.1292  0.0000  0.1456  1.0
  Se  Se5  2  0.2104  0.5000  0.5653  1.0
  Se  Se6  2  0.3370  0.5000  0.2542  1.0
  Se  Se7  2  0.4174  0.0000  0.6806  1.0
]