data_[Ba24Rh9I9N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Rh  2.2800  1.3500  0.7450
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.9796]
_cell_length_b [8.9796]
_cell_length_c [26.3047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba8Rh3I3N]
_chemical_formula_sum '[Ba24 Rh9 I9 N3]'
_cell_volume [1836.8565]
_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
[
  Ba  Ba0  18  0.0255  0.5128  0.7248  1.0
  Ba  Ba1  6  0.0000  0.0000  0.2657  1.0
  Rh  Rh2  9  0.0000  0.5000  0.0000  1.0
  I  I3  9  0.0000  0.5000  0.5000  1.0
  N  N4  3  0.0000  0.0000  0.0000  1.0
]