data_[Tl2Fe2Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3190]
_cell_length_b [7.6586]
_cell_length_c [8.0313]
_cell_angle_alpha [72.2535]
_cell_angle_beta [86.7075]
_cell_angle_gamma [87.0510]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlFeCl3]
_chemical_formula_sum '[Tl2 Fe2 Cl6]'
_cell_volume [310.8842]
_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  2  0.2280  0.6855  0.1336  1.0
  Fe  Fe1  2  0.0040  0.1304  0.3374  1.0
  Cl  Cl2  2  0.2154  0.1376  0.5767  1.0
  Cl  Cl3  2  0.2363  0.6064  0.7592  1.0
  Cl  Cl4  2  0.2476  0.1184  0.0979  1.0
]