[CIF]
data_TlFe2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32240505
_cell_length_b   3.32240505
_cell_length_c   8.70728292
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   123.26867772
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFe2Br
_chemical_formula_sum   'Tl1 Fe2 Br1'
_cell_volume   80.36183892
_cell_formula_units_Z   1
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
  Br  Br0  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe1  1  1.57846443  0.00000000  2.05345873  1
  Fe  Fe2  1  1.57846443  0.00000000  6.65382419  1
  Tl  Tl3  1  0.00000000  0.00000000  4.35364146  1
[/CIF]
