data_[La24In3Ga9I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.1344]
_cell_length_b [9.1344]
_cell_length_c [22.6372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La8InGa3I4]
_chemical_formula_sum '[La24 In3 Ga9 I12]'
_cell_volume [1635.7268]
_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  0.0097  0.5049  0.7597  1.0
  La  La1  6  0.0000  0.0000  0.2368  1.0
  In  In2  3  -0.0000  -0.0000  0.5000  1.0
  Ga  Ga3  9  0.0000  0.5000  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
]