data_[Rb2Ti2S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.7341]
_cell_length_b [4.6666]
_cell_length_c [9.7418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2463]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbTiS2]
_chemical_formula_sum '[Rb2 Ti2 S4]'
_cell_volume [214.3153]
_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  0.2803  0.7500  0.1650  1.0
  Ti  Ti1  2  0.1951  0.7500  0.5764  1.0
  S  S2  2  0.2140  0.7500  0.8058  1.0
  S  S3  2  0.2961  0.2500  0.5165  1.0
]