data_[Rb2Tl4Fe2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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/c]
_cell_length_a [7.4253]
_cell_length_b [8.5074]
_cell_length_c [12.9037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0536]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbTl2FeBr6]
_chemical_formula_sum '[Rb2 Tl4 Fe2 Br12]'
_cell_volume [690.8578]
_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  0.5000  0.0000  0.0000  1
  Tl  Tl1  4  0.2930  0.5539  0.7678  1
  Fe  Fe2  2  0.0000  0.0000  0.5000  1
  Br  Br3  4  0.0932  0.5826  0.2048  1
  Br  Br4  4  0.2316  0.2333  0.5873  1
  Br  Br5  4  0.2985  0.6522  0.0212  1
]