data_[Cs2Dy2Ti2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Dy  1.2200  1.7500  1.1310
  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 [6.8394]
_cell_length_b [7.1572]
_cell_length_c [9.9339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9248]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsDyTiSe4]
_chemical_formula_sum '[Cs2 Dy2 Ti2 Se8]'
_cell_volume [459.9868]
_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  0.2587  0.2500  0.0576  1.0
  Dy  Dy1  2  0.2104  0.2500  0.5425  1.0
  Ti  Ti2  2  0.2335  0.7500  0.3416  1.0
  Se  Se3  4  0.0117  0.5050  0.6935  1.0
  Se  Se4  2  0.4400  0.7500  0.1902  1.0
  Se  Se5  2  0.4537  0.7500  0.5773  1.0
]