data_[Tl2Fe4Sb2Cl16]
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
  Sb  2.0500  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5815]
_cell_length_b [7.4996]
_cell_length_c [9.5907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9701]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlFe2SbCl8]
_chemical_formula_sum '[Tl2 Fe4 Sb2 Cl16]'
_cell_volume [759.2615]
_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  0.0000  0.0000  0.5000  1.0
  Fe  Fe1  4  0.1220  0.5000  0.7775  1.0
  Sb  Sb2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  8  0.0072  0.2530  0.2072  1.0
  Cl  Cl4  4  0.2055  0.5000  0.5723  1.0
  Cl  Cl5  4  0.2486  0.5000  0.9848  1.0
]