data_[Na12Li4O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.4946]
_cell_length_b [11.1356]
_cell_length_c [7.9019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Na3LiO2]
_chemical_formula_sum '[Na12 Li4 O8]'
_cell_volume [307.4964]
_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  4  0.0000  0.1328  0.6281  1
  Na  Na1  4  0.5000  0.1670  0.9295  1
  Na  Na2  2  0.0000  0.0000  0.3133  1
  Na  Na3  2  0.0000  0.0000  0.9429  1
  Li  Li4  4  0.5000  0.1488  0.2654  1
  O  O5  4  0.0000  0.2113  0.3441  1
  O  O6  2  0.5000  0.0000  0.1358  1
  O  O7  2  0.5000  0.0000  0.7245  1
]