data_[Sm24Ge9Ir3I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.6321]
_cell_length_b [8.6321]
_cell_length_c [22.8848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sm8Ge3IrI4]
_chemical_formula_sum '[Sm24 Ge9 Ir3 I12]'
_cell_volume [1476.7658]
_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
[
  Sm  Sm0  18  0.0135  0.5068  0.7306  1
  Sm  Sm1  6  0.0000  0.0000  0.2669  1
  Ge  Ge2  9  0.0000  0.5000  0.0000  1
  Ir  Ir3  3  -0.0000  -0.0000  0.0000  1
  I  I4  9  0.0000  0.5000  0.5000  1
  I  I5  3  -0.0000  -0.0000  0.5000  1
]