data_[Na4Fe4Cl14]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0541]
_cell_length_b [11.4916]
_cell_length_c [6.4161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Fe2Cl7]
_chemical_formula_sum '[Na4 Fe4 Cl14]'
_cell_volume [652.3857]
_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  0.0000  0.3064  0.0000  1.0
  Fe  Fe1  4  0.2319  0.0000  0.4097  1.0
  Cl  Cl2  8  0.2396  0.1618  0.2165  1.0
  Cl  Cl3  4  0.1059  0.5000  0.2738  1.0
  Cl  Cl4  2  0.0000  0.0000  0.5000  1.0
]