data_[Cs2Tb2Ti2Se8]
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 [P2_1/m]
_cell_length_a [6.8586]
_cell_length_b [7.1523]
_cell_length_c [9.9414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8703]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsTbTiSe4]
_chemical_formula_sum '[Cs2 Tb2 Ti2 Se8]'
_cell_volume [461.4665]
_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  0.2597  0.2500  0.0584  1.0
  Tb  Tb1  2  0.2116  0.2500  0.5429  1.0
  Ti  Ti2  2  0.2321  0.7500  0.3408  1.0
  Se  Se3  4  0.0118  0.5053  0.6946  1.0
  Se  Se4  2  0.4383  0.7500  0.1895  1.0
  Se  Se5  2  0.4506  0.7500  0.5767  1.0
]