data_[Nd24Si9Sb3I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7938]
_cell_length_b [8.7938]
_cell_length_c [23.0634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd8Si3SbI4]
_chemical_formula_sum '[Nd24 Si9 Sb3 I12]'
_cell_volume [1544.5720]
_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
[
  Nd  Nd0  18  0.0194  0.5097  0.7665  1.0
  Nd  Nd1  6  0.0000  0.0000  0.2317  1.0
  Si  Si2  9  0.0000  0.5000  0.5000  1.0
  Sb  Sb3  3  -0.0000  -0.0000  0.5000  1.0
  I  I4  9  0.0000  0.5000  0.0000  1.0
  I  I5  3  0.0000  0.0000  0.0000  1.0
]