data_[Tl4Cd4Fe4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Fe  1.8300  1.4000  0.8525
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9582]
_cell_length_b [11.9825]
_cell_length_c [9.5519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlCdFeCl5]
_chemical_formula_sum '[Tl4 Cd4 Fe4 Cl20]'
_cell_volume [943.6221]
_cell_formula_units_Z [4]
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  0.0000  0.3435  0.7500  1.0
  Cd  Cd1  4  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.0000  0.3147  0.2500  1.0
  Cl  Cl3  8  0.1113  0.2051  0.1157  1.0
  Cl  Cl4  8  0.1819  0.4284  0.4322  1.0
  Cl  Cl5  4  0.0000  0.0798  0.7500  1.0
]