data_[Cs12Er9Ti3Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Er  1.2400  1.7500  1.0300
  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 [8.9183]
_cell_length_b [8.9183]
_cell_length_c [26.6243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs4Er3TiTe8]
_chemical_formula_sum '[Cs12 Er9 Ti3 Te24]'
_cell_volume [1833.8814]
_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
  Cs  Cs1  3  -0.0000  -0.0000  0.5000  1
  Er  Er2  9  0.0000  0.5000  0.0000  1
  Ti  Ti3  3  -0.0000  -0.0000  0.0000  1
  Te  Te4  18  0.0156  0.5078  0.7275  1
  Te  Te5  6  0.0000  0.0000  0.2699  1
]