data_[Rb3Na6Nd3I18]
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
  Nd  1.1400  1.8500  1.2765
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.3106]
_cell_length_b [8.3106]
_cell_length_c [22.8941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [RbNa2NdI6]
_chemical_formula_sum '[Rb3 Na6 Nd3 I18]'
_cell_volume [1369.3619]
_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
[
  Rb  Rb0  3  0.0000  0.0000  0.8073  1.0
  Na  Na1  3  0.0000  0.0000  0.0018  1.0
  Na  Na2  3  0.0000  0.0000  0.5160  1.0
  Nd  Nd3  3  0.0000  0.0000  0.3263  1.0
  I  I4  9  0.0111  0.3393  0.9219  1.0
  I  I5  9  0.0781  0.7281  0.0816  1.0
]