[CIF]
data_TlFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77557302
_cell_length_b   5.08820911
_cell_length_c   5.84162444
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFe3
_chemical_formula_sum   'Tl2 Fe6'
_cell_volume   112.22289237
_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
  Fe  Fe0  1  0.00000000  0.00000000  1.36897178  1
  Fe  Fe1  1  1.88778651  2.54410456  4.47265266  1
  Fe  Fe2  1  1.88778651  3.69023292  0.63707746  1
  Fe  Fe3  1  1.88778651  1.39797619  0.63707746  1
  Fe  Fe4  1  0.00000000  1.14612836  5.20454698  1
  Fe  Fe5  1  0.00000000  3.94208075  5.20454698  1
  Tl  Tl6  1  1.88778651  0.00000000  3.38496626  1
  Tl  Tl7  1  0.00000000  2.54410456  2.45665818  1
[/CIF]
