data_[Na20In4Br32]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [12.4029]
_cell_length_b [12.4029]
_cell_length_c [12.4029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Na5InBr8]
_chemical_formula_sum '[Na20 In4 Br32]'
_cell_volume [1907.9642]
_cell_formula_units_Z [4]
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  16  0.1394  0.1394  0.3606  1.0
  Na  Na1  4  0.0000  0.0000  0.0000  1.0
  In  In2  4  0.2500  0.2500  0.7500  1.0
  Br  Br3  16  0.1300  0.1300  0.6300  1.0
  Br  Br4  16  0.1308  0.1308  0.1308  1.0
]