data_[Na2Tl2Fe2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1456]
_cell_length_b [7.5802]
_cell_length_c [8.8986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0877]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaTlFeBr4]
_chemical_formula_sum '[Na2 Tl2 Fe2 Br8]'
_cell_volume [460.7138]
_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  2  0.2255  0.2500  0.5571  1.0
  Tl  Tl1  2  0.2370  0.2500  0.0595  1.0
  Fe  Fe2  2  0.2360  0.7500  0.3217  1.0
  Br  Br3  4  0.0053  0.5024  0.2734  1.0
  Br  Br4  2  0.4261  0.7500  0.1379  1.0
  Br  Br5  2  0.4461  0.7500  0.5884  1.0
]