data_[Rb4Y4Ti2S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7495]
_cell_length_b [11.5598]
_cell_length_c [8.1851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6039]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Y2TiS6]
_chemical_formula_sum '[Rb4 Y4 Ti2 S12]'
_cell_volume [611.9975]
_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  0.1715  0.0000  1.0
  Y  Y1  4  0.0000  0.3331  0.5000  1.0
  Ti  Ti2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.2170  0.1526  0.6832  1.0
  S  S4  4  0.2400  0.0000  0.3189  1.0
]