data_[Na6Sr12Li2]
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 [Pnnm]
_cell_length_a [11.1620]
_cell_length_b [13.3533]
_cell_length_c [6.3429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Na3Sr6Li]
_chemical_formula_sum '[Na6 Sr12 Li2]'
_cell_volume [945.4107]
_cell_formula_units_Z [2]
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  4  0.1654  0.2584  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.0000  1.0
  Sr  Sr2  4  0.0019  0.7573  0.0000  1.0
  Sr  Sr3  4  0.1617  0.9224  0.5000  1.0
  Sr  Sr4  4  0.1735  0.5823  0.5000  1.0
  Li  Li5  2  0.0000  0.0000  0.0000  1.0
]