data_[La24Rh9Se3I9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.6405]
_cell_length_b [8.6405]
_cell_length_c [23.4797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La8Rh3SeI3]
_chemical_formula_sum '[La24 Rh9 Se3 I9]'
_cell_volume [1518.0978]
_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
[
  La  La0  18  0.0201  0.5100  0.2667  1
  La  La1  6  0.0000  0.0000  0.2694  1
  Rh  Rh2  9  0.0000  0.5000  0.0000  1
  Se  Se3  3  -0.0000  -0.0000  0.0000  1
  I  I4  9  0.0000  0.5000  0.5000  1
]