data_[Na20Sr12Li8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [14.7153]
_cell_length_b [14.7570]
_cell_length_c [7.3951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Na5Sr3Li2]
_chemical_formula_sum '[Na20 Sr12 Li8]'
_cell_volume [1605.8629]
_cell_formula_units_Z [4]
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  8  0.1290  0.3473  0.5000  1.0
  Na  Na1  8  0.2470  0.5000  0.2500  1.0
  Na  Na2  4  0.0000  0.5000  0.2500  1.0
  Sr  Sr3  8  0.1141  0.2380  0.0000  1.0
  Sr  Sr4  4  0.0000  0.0000  0.2500  1.0
  Li  Li5  8  0.1467  0.1475  0.5000  1.0
]