data_[Rb2Na2Fe4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [11.6496]
_cell_length_b [7.8570]
_cell_length_c [10.3772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9424]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbNa(FeBr4)2]
_chemical_formula_sum '[Rb2 Na2 Fe4 Br16]'
_cell_volume [944.7315]
_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
[
  Rb  Rb0  2  0.0000  0.0000  0.5000  1.0
  Na  Na1  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.1116  0.5000  0.7780  1.0
  Br  Br3  8  0.0100  0.2568  0.2211  1.0
  Br  Br4  4  0.1993  0.5000  0.5850  1.0
  Br  Br5  4  0.2391  0.5000  0.9671  1.0
]