data_[Cs2Ti10Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [19.0416]
_cell_length_b [3.7486]
_cell_length_c [9.2807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsTi5Se8]
_chemical_formula_sum '[Cs2 Ti10 Se16]'
_cell_volume [640.6457]
_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
[
  Cs  Cs0  2  0.0000  0.5000  0.5000  1.0
  Ti  Ti1  4  0.1588  0.5000  0.0067  1.0
  Ti  Ti2  4  0.2097  0.5000  0.3431  1.0
  Ti  Ti3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  4  0.0744  0.5000  0.1715  1.0
  Se  Se5  4  0.0907  0.0000  0.8360  1.0
  Se  Se6  4  0.1639  0.0000  0.4905  1.0
  Se  Se7  4  0.2423  0.0000  0.1671  1.0
]