data_[Na6Fe15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.0522]
_cell_length_b [4.0522]
_cell_length_c [23.1873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Na2Fe5]
_chemical_formula_sum '[Na6 Fe15]'
_cell_volume [329.7368]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.2307  1
  Na  Na1  3  0.0000  0.0000  0.8363  1
  Fe  Fe2  3  0.0000  0.0000  0.0798  1
  Fe  Fe3  3  0.0000  0.0000  0.3458  1
  Fe  Fe4  3  0.0000  0.0000  0.4416  1
  Fe  Fe5  3  0.0000  0.0000  0.7096  1
  Fe  Fe6  3  0.0000  0.0000  0.9812  1
]