data_[Tl4Fe8Cu4Cl24]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.1283]
_cell_length_b [13.4627]
_cell_length_c [7.3404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlFe2CuCl6]
_chemical_formula_sum '[Tl4 Fe8 Cu4 Cl24]'
_cell_volume [1204.8414]
_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  0.1176  0.2500  1
  Fe  Fe1  8  0.1869  0.4245  0.1748  1
  Cu  Cu2  4  0.0000  0.2145  0.7500  1
  Cl  Cl3  8  0.1045  0.2768  0.0459  1
  Cl  Cl4  8  0.1245  0.0887  0.7086  1
  Cl  Cl5  8  0.1417  0.4486  0.4492  1
]