data_[Na3Li6La3Br18]
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
  La  1.1000  1.9500  1.1720
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.2447]
_cell_length_b [7.2447]
_cell_length_c [19.6723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaLi2LaBr6]
_chemical_formula_sum '[Na3 Li6 La3 Br18]'
_cell_volume [894.1797]
_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  0.1881  1.0
  Li  Li1  3  0.0000  0.0000  0.4856  1.0
  Li  Li2  3  0.0000  0.0000  0.9871  1.0
  La  La3  3  0.0000  0.0000  0.6817  1.0
  Br  Br4  9  0.0084  0.3691  0.7491  1.0
  Br  Br5  9  0.0086  0.6293  0.2495  1.0
]