data_[Cs18Te6Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.3690]
_cell_length_b [14.3690]
_cell_length_c [14.4715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cs3TeCl6]
_chemical_formula_sum '[Cs18 Te6 Cl36]'
_cell_volume [2587.5996]
_cell_formula_units_Z [6]
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  18  0.0433  0.2715  0.6822  1
  Te  Te1  3  0.0000  0.0000  0.0000  1
  Te  Te2  3  0.0000  0.0000  0.5000  1
  Cl  Cl3  18  0.0285  0.1834  0.4152  1
  Cl  Cl4  18  0.0416  0.1844  0.9099  1
]