data_[Rb6Dy4Ti2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [C2/m]
_cell_length_a [7.1815]
_cell_length_b [12.4207]
_cell_length_c [8.3314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8223]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Dy2TiSe6]
_chemical_formula_sum '[Rb6 Dy4 Ti2 Se12]'
_cell_volume [711.3521]
_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  4  0.0000  0.1708  0.5000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  Dy  Dy2  4  0.0000  0.3338  0.0000  1.0
  Ti  Ti3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2204  0.1575  0.1895  1.0
  Se  Se5  4  0.2491  0.5000  0.1913  1.0
]