data_[Rb8Ti12Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ti  1.5400  1.4000  0.8517
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.1803]
_cell_length_b [10.4912]
_cell_length_c [15.5167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Rb2Ti3Se4]
_chemical_formula_sum '[Rb8 Ti12 Se16]'
_cell_volume [1006.0789]
_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  8  0.0000  0.0000  0.3294  1
  Ti  Ti1  8  0.2500  0.2500  0.0000  1
  Ti  Ti2  4  0.0000  0.0000  0.0000  1
  Se  Se3  16  0.0000  0.1683  0.1193  1
]