data_[Rb12Nd6I6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Nd  1.1400  1.8500  1.2765
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.3553]
_cell_length_b [6.3553]
_cell_length_c [30.5983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb2NdIO6]
_chemical_formula_sum '[Rb12 Nd6 I6 O36]'
_cell_volume [1070.2789]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1334  1.0
  Rb  Rb1  6  0.0000  0.0000  0.2652  1.0
  Nd  Nd2  6  0.0000  0.0000  0.3986  1.0
  I  I3  3  -0.0000  -0.0000  0.5000  1.0
  I  I4  3  0.0000  0.0000  0.0000  1.0
  O  O5  18  0.0489  0.5244  0.7024  1.0
  O  O6  18  0.0568  0.5284  0.1286  1.0
]