data_[Cs2La2Ti2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  La  1.1000  1.9500  1.1720
  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 [7.1183]
_cell_length_b [7.1501]
_cell_length_c [9.9825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1976]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsLaTiSe4]
_chemical_formula_sum '[Cs2 La2 Ti2 Se8]'
_cell_volume [482.6667]
_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  0.2712  0.2500  0.0631  1.0
  La  La1  2  0.2243  0.2500  0.5464  1.0
  Ti  Ti2  2  0.2190  0.7500  0.3311  1.0
  Se  Se3  4  0.0097  0.5069  0.7047  1.0
  Se  Se4  2  0.4210  0.7500  0.5688  1.0
  Se  Se5  2  0.4237  0.7500  0.1827  1.0
]