data_[Tl4Fe2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [13.6663]
_cell_length_b [4.1710]
_cell_length_c [8.7308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4363]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2FeBr4]
_chemical_formula_sum '[Tl4 Fe2 Br8]'
_cell_volume [445.6356]
_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
[
  Tl  Tl0  4  0.1538  0.5000  0.6914  1.0
  Fe  Fe1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  4  0.0425  0.0000  0.3154  1.0
  Br  Br3  4  0.1424  0.5000  0.0583  1.0
]