data_[Cs12La9Y3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5832]
_cell_length_b [8.5832]
_cell_length_c [24.2253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs4La3YS8]
_chemical_formula_sum '[Cs12 La9 Y3 S24]'
_cell_volume [1545.6039]
_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  1.0
  Cs  Cs1  3  0.0000  0.0000  0.0000  1.0
  La  La2  9  0.0000  0.5000  0.5000  1.0
  Y  Y3  3  -0.0000  -0.0000  0.5000  1.0
  S  S4  18  0.0105  0.5052  0.2281  1.0
  S  S5  6  0.0000  0.0000  0.2293  1.0
]