data_[Cs2U2Ti2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  U  1.3800  1.7500  0.9913
  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 [9.8823]
_cell_length_b [4.1229]
_cell_length_c [10.3503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsUTiSe3]
_chemical_formula_sum '[Cs2 U2 Ti2 Se6]'
_cell_volume [385.7285]
_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  0.2146  0.7500  0.2418  1
  U  U1  2  0.3310  0.2500  0.8543  1
  Ti  Ti2  2  0.0847  0.7500  0.6054  1
  Se  Se3  2  0.1255  0.7500  0.8613  1
  Se  Se4  2  0.1971  0.2500  0.5390  1
  Se  Se5  2  0.4704  0.2500  0.1575  1
]