data_[Na3Li15Sn12]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9666]
_cell_length_b [4.9666]
_cell_length_c [31.6863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaLi5Sn4]
_chemical_formula_sum '[Na3 Li15 Sn12]'
_cell_volume [676.8991]
_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  0.5161  1.0
  Li  Li1  3  0.0000  0.0000  0.0527  1.0
  Li  Li2  3  0.0000  0.0000  0.1386  1.0
  Li  Li3  3  0.0000  0.0000  0.4160  1.0
  Li  Li4  3  0.0000  0.0000  0.8632  1.0
  Li  Li5  3  0.0000  0.0000  0.9461  1.0
  Sn  Sn6  3  0.0000  0.0000  0.2287  1.0
  Sn  Sn7  3  0.0000  0.0000  0.3183  1.0
  Sn  Sn8  3  0.0000  0.0000  0.6825  1.0
  Sn  Sn9  3  0.0000  0.0000  0.7750  1.0
]