data_[Cs9Sm9Ti3Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sm  1.1700  1.8500  1.2290
  Ti  1.5400  1.4000  0.8517
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.9139]
_cell_length_b [8.9139]
_cell_length_c [27.5066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs3Sm3TiTe8]
_chemical_formula_sum '[Cs9 Sm9 Ti3 Te24]'
_cell_volume [1892.7794]
_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  0.5000  1.0
  Sm  Sm1  9  0.0000  0.5000  0.0000  1.0
  Ti  Ti2  3  0.0000  0.0000  0.0000  1.0
  Te  Te3  18  0.0285  0.5142  0.7268  1.0
  Te  Te4  6  0.0000  0.0000  0.2681  1.0
]