data_[Ce9Ti3Ag9Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ti  1.5400  1.4000  0.8517
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3802]
_cell_length_b [8.3802]
_cell_length_c [19.3224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ce3TiAg3Se8]
_chemical_formula_sum '[Ce9 Ti3 Ag9 Se24]'
_cell_volume [1175.1798]
_cell_formula_units_Z [3]
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
[
  Ce  Ce0  9  0.0000  0.5000  0.5000  1
  Ti  Ti1  3  0.0000  0.0000  0.5000  1
  Ag  Ag2  9  0.0000  0.5000  0.0000  1
  Se  Se3  18  0.0284  0.5142  0.2444  1
  Se  Se4  6  0.0000  0.0000  0.2514  1
]