data_[K6Rb3Nd3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Nd  1.1400  1.8500  1.2765
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.8356]
_cell_length_b [8.8356]
_cell_length_c [23.3384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2RbNdI6]
_chemical_formula_sum '[K6 Rb3 Nd3 I18]'
_cell_volume [1577.8620]
_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
[
  K  K0  3  0.0000  0.0000  0.0133  1.0
  K  K1  3  0.0000  0.0000  0.5245  1.0
  Rb  Rb2  3  0.0000  0.0000  0.8149  1.0
  Nd  Nd3  3  0.0000  0.0000  0.3250  1.0
  I  I4  9  0.0496  0.3521  0.9191  1.0
  I  I5  9  0.0540  0.6677  0.0758  1.0
]