data_[Rb4Ti4Ag4Se8S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ti  1.5400  1.4000  0.8517
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8158]
_cell_length_b [15.4590]
_cell_length_c [10.1109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbTiAgSe2S]
_chemical_formula_sum '[Rb4 Ti4 Ag4 Se8 S4]'
_cell_volume [596.4223]
_cell_formula_units_Z [4]
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  0.2463  0.2500  1
  Ti  Ti1  4  0.0000  0.5000  0.0000  1
  Ag  Ag2  4  0.0000  0.0438  0.7500  1
  Se  Se3  8  0.0000  0.1162  0.5247  1
  S  S4  4  0.0000  0.4411  0.7500  1
]