data_[Tl2Fe4Pd2Cl16]
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
  Pd  2.2000  1.4000  0.8462
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6720]
_cell_length_b [6.7527]
_cell_length_c [8.4844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2718]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlFe2PdCl8]
_chemical_formula_sum '[Tl2 Fe4 Pd2 Cl16]'
_cell_volume [708.3334]
_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  0.5000  0.5000  1
  Fe  Fe1  4  0.1891  0.5000  0.1608  1
  Pd  Pd2  2  0.0000  0.0000  0.0000  1
  Cl  Cl3  8  0.1013  0.2435  0.2128  1
  Cl  Cl4  4  0.1426  0.0000  0.6444  1
  Cl  Cl5  4  0.1763  0.5000  0.8935  1
]