data_[Rb6Na2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Na  0.9300  1.8000  1.1600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [12.2799]
_cell_length_b [10.4446]
_cell_length_c [7.3637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Rb3NaI4]
_chemical_formula_sum '[Rb6 Na2 I8]'
_cell_volume [944.4549]
_cell_formula_units_Z [2]
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
[
  Rb  Rb0  4  0.2401  0.6691  0.0667  1.0
  Rb  Rb1  2  0.0000  0.8480  0.5666  1.0
  Na  Na2  2  0.0000  0.1770  0.0240  1.0
  I  I3  4  0.2294  0.3169  0.0679  1.0
  I  I4  2  0.0000  0.1873  0.5877  1.0
  I  I5  2  0.0000  0.8750  0.0679  1.0
]