data_[Rb2Ce2Ti2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ce  1.1200  1.8500  1.0800
  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 [7.0535]
_cell_length_b [7.0447]
_cell_length_c [9.5540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1804]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbCeTiSe4]
_chemical_formula_sum '[Rb2 Ce2 Ti2 Se8]'
_cell_volume [451.0415]
_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
[
  Rb  Rb0  2  0.2680  0.7500  0.0621  1.0
  Ce  Ce1  2  0.2237  0.7500  0.5493  1.0
  Ti  Ti2  2  0.2238  0.2500  0.3276  1.0
  Se  Se3  4  0.0099  0.0083  0.7098  1.0
  Se  Se4  2  0.4283  0.2500  0.5750  1.0
  Se  Se5  2  0.4283  0.2500  0.1718  1.0
]