data_[Na24In9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5432]
_cell_length_b [5.5432]
_cell_length_c [36.6664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na8In3]
_chemical_formula_sum '[Na24 In9]'
_cell_volume [975.7056]
_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
[
  Na  Na0  6  0.0000  0.0000  0.0919  1.0
  Na  Na1  6  0.0000  0.0000  0.1821  1.0
  Na  Na2  6  0.0000  0.0000  0.3656  1.0
  Na  Na3  6  0.0000  0.0000  0.7260  1.0
  In  In4  6  0.0000  0.0000  0.4591  1.0
  In  In5  3  0.0000  0.0000  0.0000  1.0
]