data_[Na18Sr9Li9]
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 [R-3m]
_cell_length_a [6.9074]
_cell_length_b [6.9074]
_cell_length_c [32.2870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na2SrLi]
_chemical_formula_sum '[Na18 Sr9 Li9]'
_cell_volume [1334.0953]
_cell_formula_units_Z [9]
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  18  0.0004  0.5002  0.0804  1
  Sr  Sr1  6  0.0000  0.0000  0.1430  1
  Sr  Sr2  3  0.0000  0.0000  0.0000  1
  Li  Li3  6  0.0000  0.0000  0.3327  1
  Li  Li4  3  -0.0000  -0.0000  0.5000  1
]