data_[Cs9Ac9In3Se24]
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
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.0385]
_cell_length_b [9.0385]
_cell_length_c [25.6885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs3Ac3InSe8]
_chemical_formula_sum '[Cs9 Ac9 In3 Se24]'
_cell_volume [1817.4321]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.0000  1
  Ac  Ac1  9  0.0000  0.5000  0.5000  1
  In  In2  3  0.0000  0.0000  0.5000  1
  Se  Se3  18  0.0267  0.5134  0.2278  1
  Se  Se4  6  0.0000  0.0000  0.2324  1
]