data_[Cs2Ti2Bi2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ti  1.5400  1.4000  0.8517
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7402]
_cell_length_b [7.1260]
_cell_length_c [9.5502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2800]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsTiBiS4]
_chemical_formula_sum '[Cs2 Ti2 Bi2 S8]'
_cell_volume [435.5555]
_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
[
  Cs  Cs0  2  0.2666  0.2500  0.0615  1.0
  Ti  Ti1  2  0.2345  0.7500  0.3406  1.0
  Bi  Bi2  2  0.2210  0.2500  0.5507  1.0
  S  S3  4  0.0046  0.5036  0.3086  1.0
  S  S4  2  0.4332  0.7500  0.1880  1.0
  S  S5  2  0.4518  0.7500  0.5707  1.0
]