data_[Ba1Na14Li1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [8.7067]
_cell_length_b [8.7067]
_cell_length_c [8.0048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [BaNa14Li]
_chemical_formula_sum '[Ba1 Na14 Li1]'
_cell_volume [606.8142]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  1  0.5000  0.5000  0.5000  1
  Na  Na1  8  0.2282  0.2282  0.2478  1
  Na  Na2  2  0.0000  0.5000  0.0000  1
  Na  Na3  2  0.0000  0.5000  0.5000  1
  Na  Na4  1  0.0000  0.0000  0.0000  1
  Na  Na5  1  0.5000  0.5000  0.0000  1
  Li  Li6  1  0.0000  0.0000  0.5000  1
]