data_[Cs2Na2Fe4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Fe  1.8300  1.4000  0.8525
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6127]
_cell_length_b [7.8363]
_cell_length_c [10.8038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2350]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsNa(FeBr4)2]
_chemical_formula_sum '[Cs2 Na2 Fe4 Br16]'
_cell_volume [970.4165]
_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
[
  Cs  Cs0  2  0.0000  0.0000  0.5000  1.0
  Na  Na1  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.1005  0.5000  0.7856  1.0
  Br  Br3  8  0.0224  0.2558  0.2150  1.0
  Br  Br4  4  0.1815  0.5000  0.5992  1.0
  Br  Br5  4  0.2368  0.5000  0.9701  1.0
]