data_[Na16In4Br24]
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 [Cmcm]
_cell_length_a [4.0647]
_cell_length_b [14.2419]
_cell_length_c [22.0539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na4InBr6]
_chemical_formula_sum '[Na16 In4 Br24]'
_cell_volume [1276.6848]
_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  8  0.0000  0.1401  0.0397  1
  Na  Na1  8  0.0000  0.4016  0.1243  1
  In  In2  4  0.0000  0.3545  0.7500  1
  Br  Br3  8  0.0000  0.0502  0.1655  1
  Br  Br4  8  0.0000  0.2265  0.5833  1
  Br  Br5  4  0.0000  0.2954  0.2500  1
  Br  Br6  4  0.0000  0.5000  0.0000  1
]