data_[Na3Li3In6Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.4164]
_cell_length_b [7.4164]
_cell_length_c [20.0279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaLi(InBr3)2]
_chemical_formula_sum '[Na3 Li3 In6 Br18]'
_cell_volume [954.0047]
_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  3  0.0000  0.0000  0.4844  1.0
  Li  Li1  3  0.0000  0.0000  0.9897  1.0
  In  In2  3  0.0000  0.0000  0.2946  1.0
  In  In3  3  0.0000  0.0000  0.8070  1.0
  Br  Br4  9  0.0129  0.6532  0.4037  1.0
  Br  Br5  9  0.0698  0.3659  0.5637  1.0
]