data_[Na6Sr2Li1]
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 [P-3m1]
_cell_length_a [7.2604]
_cell_length_b [7.2604]
_cell_length_c [7.7023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Na6Sr2Li]
_chemical_formula_sum '[Na6 Sr2 Li1]'
_cell_volume [351.6215]
_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
[
  Na  Na0  6  0.1729  0.3458  0.6726  1
  Sr  Sr1  2  0.3333  0.6667  0.1160  1
  Li  Li2  1  0.0000  0.0000  0.0000  1
]