data_[Na3Li6Nd3Br18]
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
  Nd  1.1400  1.8500  1.2765
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.1868]
_cell_length_b [7.1868]
_cell_length_c [19.6305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaLi2NdBr6]
_chemical_formula_sum '[Na3 Li6 Nd3 Br18]'
_cell_volume [878.0767]
_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  0.8125  1.0
  Li  Li1  3  0.0000  0.0000  0.0123  1.0
  Li  Li2  3  0.0000  0.0000  0.5135  1.0
  Nd  Nd3  3  0.0000  0.0000  0.3194  1.0
  Br  Br4  9  0.0281  0.3420  0.5845  1.0
  Br  Br5  9  0.0455  0.7028  0.0838  1.0
]