data_[Na6Mg3Fe3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Fe  1.8300  1.4000  0.8525
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.7179]
_cell_length_b [6.7179]
_cell_length_c [17.3634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2MgFeCl6]
_chemical_formula_sum '[Na6 Mg3 Fe3 Cl18]'
_cell_volume [678.6263]
_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  0.4705  1.0
  Na  Na1  3  0.0000  0.0000  0.9701  1.0
  Mg  Mg2  3  0.0000  0.0000  0.1798  1.0
  Fe  Fe3  3  0.0000  0.0000  0.6797  1.0
  Cl  Cl4  9  0.0613  0.3370  0.7555  1.0
  Cl  Cl5  9  0.0636  0.7211  0.2567  1.0
]