data_[Na6Li3As3Br18]
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
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.0278]
_cell_length_b [7.0278]
_cell_length_c [21.5828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2LiAsBr6]
_chemical_formula_sum '[Na6 Li3 As3 Br18]'
_cell_volume [923.1501]
_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  0.0165  1.0
  Na  Na1  3  0.0000  0.0000  0.5186  1.0
  Li  Li2  3  0.0000  0.0000  0.6870  1.0
  As  As3  3  0.0000  0.0000  0.3462  1.0
  Br  Br4  9  0.0055  0.3573  0.9436  1.0
  Br  Br5  9  0.0178  0.7022  0.4207  1.0
]