data_[Na12Li3Br15]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1903]
_cell_length_b [4.1903]
_cell_length_c [51.5713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na4LiBr5]
_chemical_formula_sum '[Na12 Li3 Br15]'
_cell_volume [784.1957]
_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  6  0.0000  0.0000  0.1027  1.0
  Na  Na1  6  0.0000  0.0000  0.2991  1.0
  Li  Li2  3  -0.0000  -0.0000  0.5000  1.0
  Br  Br3  6  0.0000  0.0000  0.1961  1.0
  Br  Br4  6  0.0000  0.0000  0.4019  1.0
  Br  Br5  3  0.0000  0.0000  0.0000  1.0
]