data_[Rb6Nd3Tl3I18]
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
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.9537]
_cell_length_b [8.9537]
_cell_length_c [22.6544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Rb2NdTlI6]
_chemical_formula_sum '[Rb6 Nd3 Tl3 I18]'
_cell_volume [1572.8637]
_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  0.0258  1.0
  Rb  Rb1  3  0.0000  0.0000  0.5345  1.0
  Nd  Nd2  3  0.0000  0.0000  0.3226  1.0
  Tl  Tl3  3  0.0000  0.0000  0.8166  1.0
  I  I4  9  0.0349  0.6246  0.0737  1.0
  I  I5  9  0.0750  0.3492  0.9136  1.0
]