data_[Rb2Ti2Fe2S6]
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
  Fe  1.8300  1.4000  0.8525
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7383]
_cell_length_b [3.5267]
_cell_length_c [9.3039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0429]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbTiFeS3]
_chemical_formula_sum '[Rb2 Ti2 Fe2 S6]'
_cell_volume [257.6081]
_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  0.2244  0.7500  0.2468  1.0
  Ti  Ti1  2  0.3179  0.2500  0.8452  1.0
  Fe  Fe2  2  0.0858  0.7500  0.6040  1.0
  S  S3  2  0.1328  0.7500  0.8589  1.0
  S  S4  2  0.1923  0.2500  0.5442  1.0
  S  S5  2  0.4753  0.2500  0.1439  1.0
]