data_[Cs18As6Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.4184]
_cell_length_b [13.4184]
_cell_length_c [15.9105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cs3AsCl6]
_chemical_formula_sum '[Cs18 As6 Cl36]'
_cell_volume [2480.9375]
_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  0.0451  0.2715  0.7050  1.0
  As  As1  3  0.0000  0.0000  0.0000  1.0
  As  As2  3  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  18  0.0147  0.1625  0.9090  1.0
  Cl  Cl4  18  0.0284  0.1677  0.4086  1.0
]