data_[Rb2Y2Ti2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Y  1.2200  1.8000  1.0400
  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 [6.8542]
_cell_length_b [7.0988]
_cell_length_c [9.5307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5016]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbYTiSe4]
_chemical_formula_sum '[Rb2 Y2 Ti2 Se8]'
_cell_volume [439.7632]
_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  0.2582  0.2500  0.0581  1.0
  Y  Y1  2  0.2132  0.2500  0.5452  1.0
  Ti  Ti2  2  0.2339  0.7500  0.3349  1.0
  Se  Se3  4  0.0113  0.5061  0.7027  1.0
  Se  Se4  2  0.4406  0.7500  0.1770  1.0
  Se  Se5  2  0.4499  0.7500  0.5810  1.0
]