data_[Cs2Ac2Ti2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ac  1.1000  1.9500  1.2600
  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 [7.0830]
_cell_length_b [6.8841]
_cell_length_c [9.6618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsAcTiS4]
_chemical_formula_sum '[Cs2 Ac2 Ti2 S8]'
_cell_volume [449.6771]
_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  0.2806  0.2500  0.0653  1
  Ac  Ac1  2  0.2315  0.2500  0.5498  1
  Ti  Ti2  2  0.2163  0.7500  0.3271  1
  S  S3  4  0.0025  0.0035  0.2948  1
  S  S4  2  0.4055  0.7500  0.5600  1
  S  S5  2  0.4158  0.7500  0.1835  1
]