data_[Rb2Tb2Ti2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tb  1.1000  1.7500  0.9815
  Ti  1.5400  1.4000  0.8517
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6548]
_cell_length_b [6.8067]
_cell_length_c [9.1621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbTbTiS4]
_chemical_formula_sum '[Rb2 Tb2 Ti2 S8]'
_cell_volume [394.2715]
_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  0.2684  0.2500  0.0603  1.0
  Tb  Tb1  2  0.2112  0.2500  0.5459  1.0
  Ti  Ti2  2  0.2378  0.7500  0.3358  1.0
  S  S3  4  0.0001  0.5022  0.6974  1.0
  S  S4  2  0.4440  0.7500  0.1832  1.0
  S  S5  2  0.4507  0.7500  0.5760  1.0
]