data_[Cs4Tb4Ti2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tb  1.1000  1.7500  0.9815
  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 [7.0570]
_cell_length_b [12.1143]
_cell_length_c [8.9023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2519]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Tb2TiSe6]
_chemical_formula_sum '[Cs4 Tb4 Ti2 Se12]'
_cell_volume [730.6464]
_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  4  0.0000  0.1721  0.0000  1.0
  Tb  Tb1  4  0.0000  0.3326  0.5000  1.0
  Ti  Ti2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.2177  0.1523  0.6794  1.0
  Se  Se4  4  0.2426  0.0000  0.3228  1.0
]