data_[Na9Li9Ni3F24]
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
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.1071]
_cell_length_b [6.1071]
_cell_length_c [15.8054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na3Li3NiF8]
_chemical_formula_sum '[Na9 Li9 Ni3 F24]'
_cell_volume [510.5144]
_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  9  0.0000  0.5000  0.5000  1
  Li  Li1  9  0.0000  0.5000  0.0000  1
  Ni  Ni2  3  -0.0000  -0.0000  0.0000  1
  F  F3  18  0.0139  0.5069  0.7368  1
  F  F4  6  0.0000  0.0000  0.2593  1
]