data_[Na4Li2Fe6]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.9063]
_cell_length_b [4.9063]
_cell_length_c [9.7730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Na2LiFe3]
_chemical_formula_sum '[Na4 Li2 Fe6]'
_cell_volume [203.7396]
_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  0.3333  0.6667  0.9360  1
  Li  Li1  2  0.0000  0.0000  0.0000  1
  Fe  Fe2  6  0.1666  0.8334  0.2500  1
]