data_[Rb2Ti10Se16]
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 [C2/m]
_cell_length_a [19.0224]
_cell_length_b [3.6480]
_cell_length_c [9.2387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7326]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbTi5Se8]
_chemical_formula_sum '[Rb2 Ti10 Se16]'
_cell_volume [620.0233]
_cell_formula_units_Z [2]
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  0.0000  0.5000  0.5000  1.0
  Ti  Ti1  4  0.1575  0.5000  0.0021  1.0
  Ti  Ti2  4  0.2079  0.5000  0.3471  1.0
  Ti  Ti3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  4  0.0740  0.5000  0.1739  1.0
  Se  Se5  4  0.0885  0.0000  0.8265  1.0
  Se  Se6  4  0.1618  0.0000  0.4979  1.0
  Se  Se7  4  0.2441  0.0000  0.1673  1.0
]