data_[Cs3Na6Y3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Y  1.2200  1.8000  1.0400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.3103]
_cell_length_b [8.3103]
_cell_length_c [22.9693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsNa2YI6]
_chemical_formula_sum '[Cs3 Na6 Y3 I18]'
_cell_volume [1373.7526]
_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  3  0.0000  0.0000  0.1997  1.0
  Na  Na1  3  0.0000  0.0000  0.0019  1.0
  Na  Na2  3  0.0000  0.0000  0.4814  1.0
  Y  Y3  3  0.0000  0.0000  0.6705  1.0
  I  I4  9  0.0162  0.5807  0.2522  1.0
  I  I5  9  0.0224  0.3527  0.4088  1.0
]