data_[Tl4Fe2Cu2Br12]
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
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6582]
_cell_length_b [7.6406]
_cell_length_c [12.3954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.3748]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2FeCuBr6]
_chemical_formula_sum '[Tl4 Fe2 Cu2 Br12]'
_cell_volume [583.9715]
_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  0.2389  0.0517  0.2479  1
  Fe  Fe1  2  0.0000  0.0000  0.5000  1
  Cu  Cu2  2  0.5000  0.0000  0.0000  1
  Br  Br3  4  0.1669  0.2377  0.9642  1
  Br  Br4  4  0.2209  0.7048  0.9632  1
  Br  Br5  4  0.3375  0.0078  0.7661  1
]