data_[Cs3Na6As3I18]
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
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.1857]
_cell_length_b [8.1857]
_cell_length_c [22.6105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsNa2AsI6]
_chemical_formula_sum '[Cs3 Na6 As3 I18]'
_cell_volume [1312.0674]
_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  0.1984  1.0
  Na  Na1  3  0.0000  0.0000  0.0079  1.0
  Na  Na2  3  0.0000  0.0000  0.4763  1.0
  As  As3  3  0.0000  0.0000  0.6660  1.0
  I  I4  9  0.0242  0.5845  0.2559  1.0
  I  I5  9  0.0363  0.3604  0.4082  1.0
]